SCHEMBL2180791

SCHEMBL2180791

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
SMO Q99835 6/20 0.48
ABCB1 P08183 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACR P10323 1/20 0.41
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
CASP3 P42574 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2177686 0.91 TP53 (0.44) LMNATP53SMOABCB1RAB9A
SCHEMBL2181361 0.91 SMO (0.53) LMNATP53SMOABCB1RAB9A
SCHEMBL2177068 0.91 SMO (0.53) LMNATP53SMOABCB1RAB9A
SCHEMBL2181234 0.90 LMNA (0.47) LMNATP53SMORAB9ANPC1
SCHEMBL2181618 0.89 LMNA (0.51) LMNATP53ABCB1RAB9ANPC1
SCHEMBL2179808 0.88 LMNA (0.44) LMNATP53RAB9ANPC1KMT2A
SCHEMBL13719199 0.88 LMNA (0.44) LMNATP53RAB9ANPC1KMT2A
SCHEMBL2180669 0.88 LMNA (0.47) LMNATP53ABCB1RAB9ANPC1
SCHEMBL2179906 0.87 LMNA (0.47) LMNATP53GAAATM
SCHEMBL2180255 0.86 LMNA (0.51) LMNATP53KMT2AGAAATM

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