SCHEMBL2177686

SCHEMBL2177686

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4F)cc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
SMO Q99835 1/20 0.41
THRB P10828 2/20 0.39
IDO1 P14902 1/20 0.39
ABCB1 P08183 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
LCLAT1 Q6UWP7 1/20 0.36
EGFR P00533 1/20 0.35
SDCBP O00560 2/20 0.35

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
SCHEMBL13718795 0.92 SMO (0.44) TP53LMNASMOTHRBIDO1
SCHEMBL2180791 0.91 LMNA (0.48) TP53LMNASMOABCB1NPC1
SCHEMBL2181234 0.89 LMNA (0.47) TP53LMNASMOTHRBNPC1
SCHEMBL2179808 0.85 LMNA (0.44) TP53LMNANPC1RAB9AKMT2A
SCHEMBL13719199 0.85 LMNA (0.44) TP53LMNANPC1RAB9AKMT2A
SCHEMBL2180669 0.85 LMNA (0.47) TP53LMNAABCB1NPC1RAB9A
SCHEMBL2181618 0.84 LMNA (0.51) TP53LMNAABCB1NPC1RAB9A
SCHEMBL2179906 0.84 LMNA (0.47) TP53LMNATHRBGAAATM
SCHEMBL2177068 0.83 SMO (0.53) TP53LMNASMOABCB1NPC1
SCHEMBL2181361 0.83 SMO (0.53) TP53LMNASMOABCB1NPC1

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