SCHEMBL5990875

SCHEMBL5990875

NC(CO)(CO)CCc1ccc(C(O)CCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.55
S1PR3 Q99500 9/20 0.55
S1PR4 O95977 6/20 0.55
TNNC1 P63316 5/20 0.55
S1PR5 Q9H228 5/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
S1PR2 O95136 4/20 0.49
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
ENPP2 Q13822 1/20 0.41
MAOB P27338 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6818048 0.96 S1PR1 (0.56) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL4817037 0.85 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL27441500 0.84 RIPK1 (0.47) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL14268150 0.84 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL904016 0.80 S1PR1 (0.58) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL8498023 0.78 TNNC1 (0.57) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL7615664 0.78 S1PR1 (0.63) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL7615930 0.78 S1PR1 (0.63) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL8497906 0.78 S1PR1 (0.59) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3080036 0.78 TRPA1 (0.51) MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US claimed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP claimed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US claimed
EP-1002792-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-24 EP claimed
CN-1290819-C 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate MITSUBISHI PHARMACEUTICAL CO L (JP) 2006-12-20 CN disclosed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US disclosed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US disclosed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP disclosed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP disclosed
CN-1480450-A 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate ������ҩ��ʽ���� 2004-03-10 CN disclosed
CN-1137086-C 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof ������ҩ��ʽ���� 2004-02-04 CN disclosed
EP-1319651-A2 2-Aminopropane-1,3-diol compound, pharmaceutical use thereof and synthetic intermediates therefor Mitsubishi Pharma Corporation (JP) 2003-06-18 EP disclosed
EP-1002792-A4 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2002-03-20 EP disclosed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US disclosed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN disclosed
EP-1002792-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-24 EP disclosed
EP-1002792-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-24 EP disclosed
WO-1998045249-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-15 WO disclosed