SCHEMBL4686775

SCHEMBL4686775

Cc1sc(C(=O)CCc2ccc(OCC(C)O)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 17/20 0.79

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
SCHEMBL1384374 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4684061 0.92 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL4689432 0.91 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL4690552 0.91 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL4687641 0.90 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2459159 0.90 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL2940015 0.89 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL4685937 0.88 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL4687520 0.87 S1PR1 (0.92) S1PR1S1PR3
SCHEMBL2946971 0.87 CACNA1G (0.63) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP disclosed