SCHEMBL1825542

SCHEMBL1825542

COc1ccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)N2C(=O)N(Cc3ccc(NC(=O)Nc4ccccc4)cc3)C3(CCCCC3)C2=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
POLB P06746 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.36
ABCB1 P08183 1/20 0.36
ITGA2 P17301 1/20 0.36
LMNA P02545 2/20 0.36
TNF P01375 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
PDE4A P27815 1/20 0.35
HPGD P15428 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
SCHEMBL1817374 1.00 ITGB1 (0.42) ITGB1ITGA4POLBITGB3ITGA2B
SCHEMBL7384383 1.00 ITGB1 (0.42) ITGB1ITGA4POLBITGB3ITGA2B
Tromethamine SCHEMBL7106361 0.95 ITGB1 (0.39) ITGB1ITGA4POLBITGB3ITGA2B
SCHEMBL7102059 0.95 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7417699 0.95 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7101082 0.95 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7099781 0.94 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7100997 0.91 HIF1A (0.40) ITGB3SMN1; SMN2MAPTALDH1A1
SCHEMBL7416413 0.91 ITGB1 (0.40) ITGB1ITGA4POLBMAPTHPGD
SCHEMBL7105287 0.91 ITGB1 (0.40) ITGB1ITGA4POLBMAPTHPGD

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 14 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
EP-1687397-A2 IMPROVED APPARATUS AND METHOD FOR IDENTIFICATION OF BIOMOLECULES, IN PARTICULAR NUCLEIC ACID SEQUENCES, PROTEINS, AND ANTIGENS AND ANTIBODIES Davis, Randall W. (US) 2006-08-09 EP disclosed
WO-2005040343-A2 IMPROVED APPARATUS AND METHOD FOR IDENTIFICATION OF BIOMOLECULES, IN PARTICULAR NUCLEIC ACID SEQUENCES, PROTEINS, AND ANTIGENS AND ANTIBODIES DAVIS RANDALL W (US) 2005-05-06 WO disclosed
US-20050079598-A1 Apparatus and method for identification of biomolecules, in particular nucleic acid sequences, proteins, and antigens and antibodies DAVIS RANDALL W (US) 2005-04-14 US disclosed
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
EP-1183241-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
WO-2000069831-A1 SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-23 WO disclosed
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed