SCHEMBL8922640

SCHEMBL8922640

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
MMEL1 Q495T6 1/20 0.41
ITGA4 P13612 15/20 0.40
ITGB7 P26010 9/20 0.40
XDH P47989 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ITGB1 P05556 6/20 0.39
ECE1 P42892 1/20 0.38
AGTR2 P50052 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
SCHEMBL8920411 0.89 ROCK2 (0.38) MMEECE1AGTR2
SCHEMBL8921341 0.87 ECE1 (0.49) MMEMMEL1ECE1AGTR2
SCHEMBL8922631 0.85 ECE1 (0.49) MMEMMEL1ITGA4ITGB7XDH
SCHEMBL8922567 0.85 ECE1 (0.49) MMEMMEL1ITGA4ITGB7XDH
SCHEMBL8921316 0.84 ECE1 (0.41) MMEECE1AGTR2
SCHEMBL8922286 0.83 MME (0.42) MMEXDHECE1AGTR2
SCHEMBL8923001 0.81 PPARG (0.41) MMEMMEL1ITGA4ITGB7PPARG
SCHEMBL8922988 0.81 PPARG (0.41) MMEMMEL1ITGA4ITGB7PPARG
SCHEMBL8920292 0.80 ECE1 (0.35) MMEECE1AGTR2
SCHEMBL8920739 0.79 PPARG (0.40) MMEMMEL1ITGA4ITGB7XDH

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 10 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
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO 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