SCHEMBL7415833

SCHEMBL7415833

COc1ccccc1-c1ccc(C[C@H](NCP(=O)(Oc2ccccc2)Oc2ccccc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.55
ITGB1 P05556 17/20 0.55
ITGB7 P26010 8/20 0.54
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL7414734 0.91 ITGA4 (0.54) ITGA4ITGB1ITGB7PPARGPPARA
SCHEMBL7411383 0.90 ITGA4 (0.43) ITGA4ITGB1ITGB7PPARA
SCHEMBL7417516 0.87 ITGA4 (0.59) ITGA4ITGB1ITGB7PPARGPPARA
SCHEMBL7417523 0.87 ITGA4 (0.59) ITGA4ITGB1ITGB7PPARGPPARA
SCHEMBL7407175 0.87 MME (0.48) PPARGPPARA
SCHEMBL7419794 0.84 MME (0.50)
SCHEMBL7415659 0.83 KMT2A (0.48)
SCHEMBL31510352 0.83 ANPEP (0.48)
SCHEMBL8923043 0.82 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7413502 0.80 ECE1 (0.44) ITGA4ITGB1ITGB7PPARA

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