SCHEMBL7100997

SCHEMBL7100997

COc1cccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)N2C(=O)N(Cc3ccc(NC(=O)Nc4ccccc4)cc3)C3(CCCCC3)C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
PTGER3 P43115 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MCHR1 Q99705 1/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C2 P08235 1/20 0.36
ANPEP P15144 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGAV P06756 3/20 0.36
DGAT1 O75907 1/20 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
SCHEMBL7106468 0.95 ITGB1 (0.41)
SCHEMBL7416413 0.93 ITGB1 (0.40) HIF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7105287 0.93 ITGB1 (0.40) HIF1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL1820746 0.92 LMNA (0.37) ALDH1A1RAB9ANPC1ITGB3ITGAV
SCHEMBL7107550 0.92 LMNA (0.37) ALDH1A1RAB9ANPC1ITGB3ITGAV
SCHEMBL7103777 0.92 LMNA (0.37) RAB9ANPC1ITGB3ITGAV
SCHEMBL7384383 0.91 ITGB1 (0.42) ALDH1A1MAPTSMN1; SMN2ITGB3
SCHEMBL1825542 0.91 ITGB1 (0.42) ALDH1A1MAPTSMN1; SMN2ITGB3
SCHEMBL1817374 0.91 ITGB1 (0.42) ALDH1A1MAPTSMN1; SMN2ITGB3
SCHEMBL1821359 0.90 HIF1A (0.36) HIF1APTGER3MEN1KMT2AKDM4E

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-1183241-B1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6399643-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed