SCHEMBL8501227

SCHEMBL8501227

CC(Sc1cccc(NC=NN)c1)c1cccc(C(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.40
ITGAV P06756 14/20 0.40
ITGA2B P08514 11/20 0.40
CTSA P10619 2/20 0.34
FFAR1 O14842 1/20 0.34
CBLB Q13191 2/20 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
SCHEMBL8501217 0.84 ITGB3 (0.45) ITGB3ITGAVITGA2BCBLB
SCHEMBL7864766 0.81 ITGB3 (0.38) ITGB3ITGAVITGA2BCTSAFFAR1
SCHEMBL7864160 0.78 FFAR1 (0.39) ITGB3ITGAVITGA2BCTSAFFAR1
SCHEMBL7866947 0.77 PTPN11 (0.41) CTSAFFAR1
SCHEMBL7866927 0.75 FFAR1 (0.45) ITGB3ITGAVFFAR1
SCHEMBL7856436 0.75 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7457204 0.73 ITGB3 (0.53) ITGB3ITGA2BFFAR1
SCHEMBL7863123 0.73 ITGB3 (0.39) ITGB3ITGAVCTSA
SCHEMBL7863159 0.73 KMT2A (0.56) CTSAFFAR1
SCHEMBL7864712 0.72 SIRT2 (0.45) ITGB3ITGAV

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-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed