SCHEMBL7620402

SCHEMBL7620402

CCCCCCCCCCCCc1ccc(CCC(CCOC(C)=O)(COC(C)=O)NC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.45
S1PR4 O95977 7/20 0.45
S1PR3 Q99500 7/20 0.45
TNNC1 P63316 5/20 0.45
S1PR5 Q9H228 5/20 0.45
SGPL1 O95470 1/20 0.45
GPR183 P32249 1/20 0.45
CERS2 Q96G23 1/20 0.45
SPHK2 Q9NRA0 3/20 0.43
SPHK1 Q9NYA1 1/20 0.43
S1PR2 O95136 5/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FAAH O00519 1/20 0.41
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
SCHEMBL7618091 1.00 S1PR1 (0.45) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7619569 1.00 S1PR1 (0.45) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7616417 0.95 TNNC1 (0.42) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7614927 0.94 S1PR1 (0.46) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7714173 0.94 TNNC1 (0.48) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8498832 0.94 S1PR1 (0.48) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8498503 0.94 S1PR1 (0.48) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL4917300 0.94 S1PR1 (0.48) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8529514 0.94 S1PR1 (0.48) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL7712090 0.92 S1PR1 (0.46) S1PR1S1PR4S1PR3TNNC1S1PR5

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 5 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
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed