SCHEMBL7410389

SCHEMBL7410389

CC(C)(C)OC(=O)N(NC(=O)c1cccc(NC=NN)c1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGAV P06756 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGB5 P18084 2/20 0.40
SLC7A5 Q01650 2/20 0.38
GPR132 Q9UNW8 2/20 0.37
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
BACE1 P56817 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
MAPT P10636 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7410561 1.00 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7408428 0.92 MAPT (0.37) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7375609 0.91 ALDH1A1 (0.39) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7375604 0.91 ALDH1A1 (0.39) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7466505 0.89 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7466500 0.89 ITGB3 (0.40) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7409609 0.89 ALDH1A1 (0.38) GPR132ALDH1A1MAPT
SCHEMBL7409613 0.89 ALDH1A1 (0.38) GPR132ALDH1A1MAPT
SCHEMBL7382275 0.87 NR1H4 (0.38) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7382280 0.87 NR1H4 (0.38) 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