SCHEMBL8185286

SCHEMBL8185286

Cc1ncc(CC(Oc2ccc(CCc3ccc(F)cc3)c(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c2)c2nccs2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.34
ITGB1 P05556 6/20 0.34
ITGAV P06756 6/20 0.34
ITGA5 P08648 6/20 0.34
ALDH1A1 P00352 1/20 0.33
CAPN1 P07384 1/20 0.32
GPR132 Q9UNW8 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
PTPRB P23467 1/20 0.30

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
SCHEMBL7615317 0.92 ALDH1A1 (0.32) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL8185334 0.90 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL8185291 0.88 ITGB3 (0.33) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL7562561 0.86 ITGB3 (0.33) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL7561738 0.86 ITGB3 (0.33) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL8197252 0.85 ALDH1A1 (0.32) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL7610663 0.85 BRS3 (0.35) CAPN1
SCHEMBL8197256 0.84 FNTA (0.32) ALDH1A1FNTAFNTBPGGT1B
SCHEMBL8186039 0.83 MAPK8 (0.34) ALDH1A1CAPN1
SCHEMBL7591164 0.83 FNTA (0.35) ITGB3ITGB1ITGAVITGA5FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP claimed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 WO claimed
EP-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP disclosed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 WO disclosed