SCHEMBL7616465

SCHEMBL7616465

CCCCCCCCc1ccc(CCC(CCCOC(C)=O)(CCOC(C)=O)NC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR4 O95977 3/20 0.45
S1PR3 Q99500 3/20 0.45
SGPL1 O95470 1/20 0.45
GPR183 P32249 1/20 0.45
CERS2 Q96G23 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SPHK2 Q9NRA0 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FAAH O00519 1/20 0.41
S1PR2 O95136 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HAO1 Q9UJM8 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
SCHEMBL7714173 0.96 TNNC1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7712090 0.92 S1PR1 (0.46) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7618091 0.91 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7619569 0.91 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7620402 0.91 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7619330 0.89 THRA (0.44) S1PR1S1PR3THRATHRBS1PR2
SCHEMBL7616417 0.88 TNNC1 (0.42) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498832 0.86 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL4917300 0.86 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7616855 0.86 ALDH1A1 (0.42) THRBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed