SCHEMBL8920718

SCHEMBL8920718

COc1ccccc1-c1ccc(C[C@H](NCP(=O)(Oc2ccccc2)Oc2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ITGA4 P13612 13/20 0.40
ITGB1 P05556 10/20 0.40
MME P08473 2/20 0.39
MMEL1 Q495T6 1/20 0.39
ECE1 P42892 1/20 0.38
AGTR2 P50052 1/20 0.38
ITGB7 P26010 7/20 0.37
XDH P47989 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL8920739 1.00 PPARG (0.40) PPARGPPARAITGA4ITGB1MME
SCHEMBL8922988 0.91 PPARG (0.41) PPARGPPARAITGA4ITGB1MME
SCHEMBL8923001 0.91 PPARG (0.41) PPARGPPARAITGA4ITGB1MME
SCHEMBL8924802 0.90 ECE1 (0.36) PPARAMMEECE1AGTR2
SCHEMBL8924771 0.90 ECE1 (0.36) PPARAMMEECE1AGTR2
SCHEMBL8921569 0.88 MME (0.48) MMEMMEL1ECE1AGTR2
SCHEMBL8921559 0.88 MME (0.48) MMEMMEL1ECE1AGTR2
SCHEMBL8922567 0.87 ECE1 (0.49) PPARGPPARAITGA4ITGB1MME
SCHEMBL8922631 0.87 ECE1 (0.49) PPARGPPARAITGA4ITGB1MME
SCHEMBL8922375 0.85 MME (0.42) MMEECE1AGTR2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed