SCHEMBL7863258

SCHEMBL7863258

CCc1c(CCC(=O)O)cccc1CNC(=O)c1cccc(C(=N)N)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
KLKB1 P03952 3/20 0.43
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 7/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
ALDH1A1 P00352 1/20 0.40
BCHE P06276 2/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL7856497 0.87 MAPT (0.50) PPARGITGB3ITGA2BMAPTBCHE
SCHEMBL7372211 0.87 PPARG (0.52) PPARGKLKB1ITGB3ITGA2BHPGD
SCHEMBL7864782 0.85 MAPT (0.52) PPARGITGB3ITGA2BMAPTBCHE
SCHEMBL7373439 0.79 PPARG (0.70) PPARGKLKB1ITGB3ITGA2BF10
SCHEMBL7458359 0.78 PPARG (0.65) PPARGITGB3ITGA2BF10F2
SCHEMBL7861952 0.77 PPARG (0.53) PPARGHPGDMAPTALDH1A1BCHE
SCHEMBL7380584 0.75 ITGB3 (0.52) PPARGKLKB1ITGB3ITGA2BF10
SCHEMBL7377637 0.74 MAPT (0.55) PPARGITGB3ITGA2BMAPTBCHE
SCHEMBL7380405 0.74 F10 (0.58) PPARGITGB3ITGA2BHPGDF10
SCHEMBL8500073 0.74 MAPT (0.49) PPARGITGB3ITGA2BHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed