SCHEMBL7411389

SCHEMBL7411389

COc1cc(CC(NC(c2ccccc2)(c2ccccc2)P(=O)(O)O)C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.45
ECE1 P42892 3/20 0.44
ITGA4 P13612 8/20 0.43
ITGB1 P05556 7/20 0.43
ITGB7 P26010 3/20 0.43
PPARA Q07869 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL7411378 1.00 PTPN5 (0.45) PTPN5ECE1ITGA4ITGB1ITGB7
SCHEMBL7415838 0.90 ITGA4 (0.55) ITGA4ITGB1ITGB7
SCHEMBL7415830 0.90 ITGA4 (0.55) ITGA4ITGB1ITGB7
SCHEMBL7407179 0.81 MME (0.50)
SCHEMBL7407171 0.81 MME (0.50)
SCHEMBL7411125 0.81 ITGA4 (0.42) ECE1ITGA4ITGB1ITGB7PPARA
SCHEMBL7411137 0.81 ITGA4 (0.42) ECE1ITGA4ITGB1ITGB7PPARA
SCHEMBL7409307 0.81 ECE1 (0.55) ECE1ITGA4ITGB1ITGB7PPARA
SCHEMBL7409316 0.81 ECE1 (0.55) ECE1ITGA4ITGB1ITGB7PPARA
SCHEMBL7419799 0.80 MME (0.48) PTPN5

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 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-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed