SCHEMBL8923001

SCHEMBL8923001

COc1ccccc1-c1ccc(CC(NCP(=O)(O)Oc2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MME P08473 2/20 0.41
ECE1 P42892 1/20 0.41
AGTR2 P50052 1/20 0.41
MMEL1 Q495T6 1/20 0.40
ITGA4 P13612 14/20 0.39
ITGB1 P05556 10/20 0.39
ITGB7 P26010 8/20 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
SCHEMBL8922988 1.00 PPARG (0.41) PPARGPPARAMMEECE1AGTR2
SCHEMBL8920718 0.91 PPARG (0.40) PPARGPPARAMMEECE1AGTR2
SCHEMBL8920739 0.91 PPARG (0.40) PPARGPPARAMMEECE1AGTR2
SCHEMBL8921868 0.90 ECE1 (0.38) PPARAMMEECE1AGTR2
SCHEMBL8921886 0.90 ECE1 (0.38) PPARAMMEECE1AGTR2
SCHEMBL8922567 0.89 ECE1 (0.49) PPARGPPARAMMEECE1AGTR2
SCHEMBL8922631 0.89 ECE1 (0.49) PPARGPPARAMMEECE1AGTR2
SCHEMBL8920954 0.88 ECE1 (0.52) MMEECE1AGTR2
SCHEMBL8920944 0.88 ECE1 (0.52) MMEECE1AGTR2
SCHEMBL8923159 0.86 MME (0.45) 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 3 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
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed