SCHEMBL2179328

SCHEMBL2179328

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc5c(c4)CCC5)cc3C(F)(F)F)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.41
RAB9A P51151 11/20 0.41
POLB P06746 4/20 0.41
KDR P35968 1/20 0.41
CASP3 P42574 3/20 0.39
SENP7 Q9BQF6 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
S1PR1 P21453 1/20 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
SCHEMBL2179465 0.92 KDR (0.42) NPC1RAB9APOLBKDRCASP3
SCHEMBL13719378 0.92 KDR (0.42) NPC1RAB9APOLBKDRCASP3
SCHEMBL2178455 0.89 LMNA (0.40) KDRMEN1KMT2ALMNATP53
SCHEMBL2179704 0.89 LMNA (0.41) POLBKDRLMNATP53TDP1
SCHEMBL2179365 0.86 LMNA (0.42) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL2179560 0.85 NPC1 (0.51) NPC1RAB9APOLBKDRCASP3
SCHEMBL2178689 0.83 S1PR1 (0.44) LMNATP53S1PR1
SCHEMBL2365142 0.81 AKR1C3 (0.44) NPC1RAB9ALMNATP53
SCHEMBL2365140 0.81 AKR1C3 (0.44) NPC1RAB9ALMNATP53
SCHEMBL2181058 0.81 LMNA (0.42) NPC1RAB9APOLBCASP3SENP7

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