SCHEMBL2179927

SCHEMBL2179927

CCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)OC)C(C)C)C4)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
TRPV1 Q8NER1 3/20 0.44
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGA2 P17301 2/20 0.41
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.38
ATM Q13315 1/20 0.38
THRB P10828 1/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
CFTR P13569 1/20 0.37

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
SCHEMBL2178572 0.97 KDM4E (0.41) KDM4ETRPV1TP53LMNAGAA
SCHEMBL2180852 0.97 KDM4E (0.41) KDM4ETRPV1TP53LMNAGAA
SCHEMBL2178856 0.95 LMNA (0.43) KDM4ETP53LMNAGAAITGB3
SCHEMBL13718984 0.92 TRPV1 (0.47) KDM4ETRPV1TP53LMNAGAA
SCHEMBL2178267 0.92 TRPV1 (0.47) KDM4ETRPV1TP53LMNAGAA
SCHEMBL2178443 0.91 LMNA (0.44) TP53LMNAGAAITGB3ITGA2B
SCHEMBL2180319 0.90 MAPT (0.47) KDM4ETP53LMNAITGB3ITGA2B
SCHEMBL2179566 0.89 TRPV1 (0.44) KDM4ETRPV1TP53GAAITGB3
SCHEMBL2179559 0.89 TRPV1 (0.44) KDM4ETRPV1TP53GAAITGB3
SCHEMBL2180558 0.88 TRPV1 (0.44) KDM4ETRPV1TP53ITGB3ITGA2B

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