SCHEMBL8498404

SCHEMBL8498404

NN=CNc1cccc(C(=O)NCc2cccc(C3(F)C=C(F)C=C(CCC(=O)O)C3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
SENP1 Q9P0U3 6/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
SENP2 Q9HC62 1/20 0.34
CFD P00746 1/20 0.34
TSHR P16473 2/20 0.33
FFAR1 O14842 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8501455 0.88 PPARG (0.43) PPARGSENP1SIRT2LMNAMAPK1
SCHEMBL8500652 0.81 FFAR1 (0.38) PPARGLMNAFFAR1MAPT
SCHEMBL8526327 0.80 ITGB3 (0.49)
SCHEMBL7856525 0.78 PPARG (0.59) PPARGSENP1SIRT2LMNAMAPK1
SCHEMBL7452332 0.77 PPARG (0.63) PPARGSENP1SIRT2LMNAMAPK1
SCHEMBL7403130 0.73 HTT (0.36)
SCHEMBL7856483 0.73 SIRT2 (0.48) PPARGSENP1SIRT2LMNAMAPK1
SCHEMBL7348232 0.72 ITGB3 (0.33) PPARGSENP1LMNA
SCHEMBL7347263 0.72 ITGB3 (0.34) PPARG
SCHEMBL7379916 0.72 PPARG (0.51) PPARGLMNAHPGDTP53

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