SCHEMBL2276572

SCHEMBL2276572

CCCCCc1ccc(Nc2ccc(-c3ccc4c(c3)C(=O)N([C@H](C(=O)O)C(C)C)C4)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SDCBP O00560 2/20 0.37
SDC2 P34741 2/20 0.37
VHL P40337 4/20 0.36
MAPK1 P28482 6/20 0.36
MAPT P10636 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2181260 0.91 TRPV1 (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL13719176 0.91 TRPV1 (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2228136 0.91 SDCBP (0.36) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2284780 0.91 SDCBP (0.36) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2283333 0.89 SDCBP (0.36) ALDH1A1HPGDSDCBPSDC2VHL
SCHEMBL13572379 0.88 SDCBP (0.38) SDCBPSDC2VHLMAPK1
SCHEMBL2271028 0.85 RARB (0.43) SDCBPSDC2VHL
SCHEMBL2179477 0.84 TRPV1 (0.41) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2178926 0.83 NPC1 (0.38) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2178932 0.83 NPC1 (0.38) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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 2 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 disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed