SCHEMBL2179560

SCHEMBL2179560

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc5c(c4)CCC5)c(F)c3)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.51
RAB9A P51151 11/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 3/20 0.42
CASP3 P42574 4/20 0.42
SENP7 Q9BQF6 4/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
KDR P35968 2/20 0.41
TP53 P04637 1/20 0.41
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL2180144 0.92 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13719149 0.92 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2178261 0.91 MAPT (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2179912 0.89 LMNA (0.48) NPC1RAB9APOLBLMNATHRB
SCHEMBL2179328 0.85 NPC1 (0.41) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2223220 0.83 LMNA (0.47) MEN1KMT2ALMNATHRBTP53
SCHEMBL2180501 0.83 LMNA (0.47) MEN1KMT2ALMNATHRBTP53
SCHEMBL13719256 0.82 LMNA (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2179818 0.82 LMNA (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2176524 0.81 LMNA (0.46) LMNATHRBKDRTP53

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