SCHEMBL2178689

SCHEMBL2178689

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3C(F)(F)F)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.44
S1PR3 Q99500 8/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGA2 P17301 2/20 0.41

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
SCHEMBL2224457 0.93 S1PR1 (0.44) S1PR1S1PR3LMNATP53ITGB3
SCHEMBL13718844 0.93 S1PR1 (0.44) S1PR1S1PR3LMNATP53ITGB3
SCHEMBL2181058 0.92 LMNA (0.42) S1PR1S1PR3LMNATP53ITGB3
SCHEMBL2180255 0.88 LMNA (0.51) LMNATP53ITGB3ITGA2BITGA2
SCHEMBL2181207 0.88 MEN1 (0.44) LMNATP53ITGB3ITGA2BITGA2
SCHEMBL2226163 0.87 GAA (0.45) S1PR1S1PR3ITGB3ITGA2BITGA2
SCHEMBL2178623 0.85 ITGB3 (0.42) S1PR1S1PR3ITGB3ITGA2BITGA2
SCHEMBL2178629 0.85 ITGB3 (0.42) S1PR1S1PR3ITGB3ITGA2BITGA2
SCHEMBL2181367 0.85 AKR1C3 (0.44) S1PR1S1PR3LMNATP53ITGB3
SCHEMBL13719612 0.85 AKR1C3 (0.44) S1PR1S1PR3LMNATP53ITGB3

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
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed