SCHEMBL8922286

SCHEMBL8922286

COc1cccc(-c2ccc(C[C@H](NOP(C)(=O)O)c3nnn[nH]3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.42
XDH P47989 1/20 0.42
ECE1 P42892 5/20 0.40
AGTR2 P50052 1/20 0.40
MAOB P27338 2/20 0.39
PTPRB P23467 1/20 0.38
MAPT P10636 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PLK1 P53350 1/20 0.37
MMP9 P14780 1/20 0.37
PTGDR Q13258 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
SCHEMBL8921341 0.89 ECE1 (0.49) MMEECE1AGTR2
SCHEMBL8922235 0.86 MME (0.51) MMEXDHECE1AGTR2MAOB
SCHEMBL8922277 0.86 MME (0.51) MMEXDHECE1AGTR2MAOB
SCHEMBL8922640 0.83 MME (0.41) MMEXDHECE1AGTR2
SCHEMBL8923159 0.83 MME (0.45) MMEXDHECE1AGTR2
SCHEMBL8923142 0.83 MME (0.45) MMEXDHECE1AGTR2
SCHEMBL8921316 0.82 ECE1 (0.41) MMEECE1AGTR2
SCHEMBL8920292 0.82 ECE1 (0.35) MMEECE1AGTR2
SCHEMBL8920411 0.81 ROCK2 (0.38) MMEECE1AGTR2
SCHEMBL8921961 0.80 MME (0.46) MMEECE1AGTR2

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