SCHEMBL8922631

SCHEMBL8922631

COc1ccccc1-c1ccc(CC(NCP(=O)(O)O)c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.49
MME P08473 2/20 0.49
AGTR2 P50052 1/20 0.49
MMEL1 Q495T6 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGA4 P13612 7/20 0.40
ITGB1 P05556 5/20 0.40
ITGB7 P26010 2/20 0.39
XDH P47989 1/20 0.38

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
SCHEMBL8922567 1.00 ECE1 (0.49) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL8923001 0.89 PPARG (0.41) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL8922988 0.89 PPARG (0.41) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL8920353 0.89 ECE1 (0.48) ECE1MMEAGTR2PPARA
SCHEMBL8921282 0.89 ECE1 (0.48) ECE1MMEAGTR2PPARA
SCHEMBL8920739 0.87 PPARG (0.40) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL8920718 0.87 PPARG (0.40) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL8922640 0.85 MME (0.41) ECE1MMEAGTR2MMEL1PPARG
SCHEMBL653011 0.84 ECE1 (0.67) ECE1MMEAGTR2
SCHEMBL653010 0.84 ECE1 (0.67) ECE1MMEAGTR2

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