SCHEMBL7410384

SCHEMBL7410384

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)ONC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGB1 P05556 1/20 0.54
ITGAV P06756 1/20 0.54
ITGA2B P08514 1/20 0.54
ITGB5 P18084 1/20 0.54
ACE P12821 1/20 0.48
KLK5 Q9Y337 1/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
REN P00797 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
CMA1 P23946 3/20 0.45
CTRC Q99895 2/20 0.45

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
SCHEMBL7375597 0.91 CA12 (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7409607 0.89 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7375475 0.88 CA12 (0.43) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7466494 0.88 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7380577 0.87 CTSL (0.54) ACECTSLCA12CA1CA2
SCHEMBL7382271 0.87 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7410070 0.85 ITGB3 (0.73) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7410063 0.85 ITGB3 (0.73) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7409522 0.85 ITGB3 (0.73) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7416608 0.85 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA2BITGB5

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-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed