SCHEMBL2180669

SCHEMBL2180669

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
TMPRSS2 O15393 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
DEGS1 O15121 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
BACE1 P56817 2/20 0.39
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL2181047 0.91 TMPRSS2 (0.45) LMNATP53TMPRSS2NPC1RAB9A
SCHEMBL2181566 0.91 TMPRSS2 (0.45) LMNATP53TMPRSS2NPC1RAB9A
SCHEMBL2181618 0.88 LMNA (0.51) LMNATP53NPC1RAB9AABCB1
SCHEMBL2180791 0.88 LMNA (0.48) LMNATP53NPC1RAB9AABCB1
SCHEMBL2179906 0.85 LMNA (0.47) LMNATP53GAAATM
SCHEMBL2180687 0.85 PLAU (0.52) LMNATP53TMPRSS2NPC1RAB9A
SCHEMBL2180255 0.85 LMNA (0.51) LMNATP53DEGS1MEN1KMT2A
SCHEMBL2181507 0.85 MEN1 (0.46) LMNATP53NPC1RAB9AMEN1
SCHEMBL2181176 0.85 MEN1 (0.48) LMNATP53RAB9AABCB1MEN1
SCHEMBL2177686 0.85 TP53 (0.44) LMNATP53NPC1RAB9AABCB1

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