SCHEMBL2179477

SCHEMBL2179477

CCCCCc1ccc(C(=O)Nc2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)OC)C(C)C)C4)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PLK1 P53350 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
ITGA2 P17301 2/20 0.37
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CFTR P13569 2/20 0.36

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
SCHEMBL13719176 0.93 TRPV1 (0.42) TRPV1SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL2181260 0.93 TRPV1 (0.42) TRPV1SMN1; SMN2MAPTNPC1NFKB1
SCHEMBL2181898 0.91 MEN1 (0.42) SMN1; SMN2MAPTNPC1RAB9AITGB3
SCHEMBL2180852 0.89 KDM4E (0.41) TRPV1SMN1; SMN2MAPTPLK1ITGB3
SCHEMBL2178572 0.89 KDM4E (0.41) TRPV1SMN1; SMN2MAPTPLK1ITGB3
SCHEMBL2179927 0.88 KDM4E (0.45) TRPV1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2178856 0.84 LMNA (0.43) ITGB3ITGA2BITGA2KDM4ELMNA
SCHEMBL2179919 0.84 MEN1 (0.43) SMN1; SMN2MAPTRAB9AITGB3ITGA2B
SCHEMBL13719175 0.84 MEN1 (0.43) SMN1; SMN2MAPTRAB9AITGB3ITGA2B
SCHEMBL2276572 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1NFKB1RAB9A

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