SCHEMBL2180852

SCHEMBL2180852

CCCCCCCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)OC)C(C)C)C4)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PLK1 P53350 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
TRPV1 Q8NER1 9/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGA2 P17301 2/20 0.40
CFTR P13569 2/20 0.40
PLK3 Q9H4B4 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BDKRB2 P30411 1/20 0.38

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 1.00 KDM4E (0.41) KDM4EPLK1TP53LMNATRPV1
SCHEMBL2179927 0.97 KDM4E (0.45) KDM4ETP53LMNATRPV1ITGB3
SCHEMBL2178856 0.93 LMNA (0.43) KDM4ETP53LMNAITGB3ITGA2B
SCHEMBL2178747 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL2179050 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL2178074 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL13719202 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL2180558 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL2181350 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3
SCHEMBL13718568 0.92 TRPV1 (0.44) KDM4EPLK1TP53TRPV1ITGB3

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