SCHEMBL1820629

SCHEMBL1820629

COc1ccc(C(CC(=O)O)NC(=O)C(CC(C)C)N2C(=O)N(Cc3ccc(NC(=O)Nc4ccccc4)cc3)C3(CCCCC3)C2=O)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB1 P08183 1/20 0.34
CTSK P43235 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
PTGER3 P43115 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1821359 1.00 HIF1A (0.36) HIF1ANPC1RAB9AABCB1CTSK
Tromethamine SCHEMBL7100465 0.95 HIF1A (0.33) HIF1ANPC1RAB9AABCB1CTSK
SCHEMBL1823301 0.95 ITGB1 (0.39)
SCHEMBL7101991 0.95 ITGB1 (0.39)
SCHEMBL1821147 0.94 ITGB1 (0.39)
SCHEMBL7100997 0.90 HIF1A (0.40) HIF1ANPC1RAB9AKDM4EMEN1
SCHEMBL7105287 0.90 ITGB1 (0.40) HIF1ANPC1RAB9ACTSKKDM4E
SCHEMBL7416413 0.90 ITGB1 (0.40) HIF1ANPC1RAB9ACTSKKDM4E
SCHEMBL1821149 0.89 ITGB1 (0.38) MEN1KMT2A
SCHEMBL1825542 0.88 ITGB1 (0.42) ABCB1MAPTALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4686029-B2 2011-05-18 JP claimed
EP-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP claimed
JP-2002544261-A 2002-12-24 JP claimed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US claimed
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP claimed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO claimed