SCHEMBL1801263

SCHEMBL1801263

Cc1cc(CCC(=O)c2cc(-c3ccccc3)c(C)s2)cc(C)c1OCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.54
S1PR3 Q99500 15/20 0.54

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
SCHEMBL1801261 1.00 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1801260 1.00 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1802090 0.92 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL1800716 0.91 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL1799074 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799072 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799070 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1800494 0.89 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1800493 0.89 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1800496 0.89 S1PR1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 WO disclosed