SCHEMBL7417458

SCHEMBL7417458

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)S(=O)(=O)c3cccnc3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.49
ITGB1 P05556 15/20 0.49
ITGB7 P26010 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL7379944 0.90 ITGB1 (0.54) ITGA4ITGB1KMT2AALDH1A1HPGD
SCHEMBL7536442 0.89 ITGA4 (0.54) ITGA4ITGB1ITGB7KMT2A
SCHEMBL7386600 0.88 ITGB1 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7379255 0.88 ITGA4 (0.45) ITGA4ITGB1KMT2AAHR
SCHEMBL7386363 0.88 ITGA4 (0.48) ITGA4ITGB1ITGB7KMT2A
SCHEMBL7647707 0.86 ITGA4 (0.48) ITGA4ITGB1ITGB7
SCHEMBL7388976 0.85 ITGA4 (0.55) ITGA4ITGB1ITGB7KMT2A
SCHEMBL7648845 0.83 ITGA4 (0.54) ITGA4ITGB1ITGB7KMT2A
SCHEMBL7425519 0.83 ITGA4 (0.54) ITGA4ITGB1ITGB7KMT2A
SCHEMBL7422723 0.83 ITGA4 (0.54) ITGA4ITGB1ITGB7KMT2A

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
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed