SCHEMBL2180708

SCHEMBL2180708

COC(=O)C(C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
PLAU P00749 1/20 0.48
ABCB1 P08183 2/20 0.47
POLB P06746 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
USP2 O75604 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL13719003 0.93 KMT2A (0.49) GAAATMPLAUABCB1POLB
SCHEMBL2177600 0.93 KMT2A (0.49) GAAATMPLAUABCB1POLB
SCHEMBL2180255 0.88 LMNA (0.51) GAAATMLMNATP53KMT2A
SCHEMBL2180613 0.88 LMNA (0.44) LMNATP53MAPTNAMPT
SCHEMBL2180687 0.87 PLAU (0.52) PLAUPOLBNPC1RAB9ALMNA
SCHEMBL2178443 0.86 LMNA (0.44) GAAATMPOLBNPC1RAB9A
SCHEMBL2181618 0.86 LMNA (0.51) GAAATMABCB1POLBNPC1
SCHEMBL2355419 0.85 RARA (0.49) PLAULMNATP53KMT2AMEN1
SCHEMBL2181321 0.85 ABCB1 (0.45) PLAUABCB1LMNATP53MAPT
SCHEMBL2178856 0.84 LMNA (0.43) GAAATMABCB1LMNATP53

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