SCHEMBL7423673

SCHEMBL7423673

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)NC(=O)c3cccnn3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.49
ITGA4 P13612 11/20 0.49
ITGB7 P26010 1/20 0.43
CTSA P10619 9/20 0.40

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
SCHEMBL7389752 0.90 ITGA4 (0.54) ITGB1ITGA4ITGB7CTSA
SCHEMBL7421221 0.88 ITGA4 (0.55) ITGB1ITGA4ITGB7
SCHEMBL7387429 0.88 ITGA4 (0.49) ITGB1ITGA4ITGB7
SCHEMBL7423979 0.88 ITGB1 (0.56) ITGB1ITGA4ITGB7CTSA
SCHEMBL7380743 0.88 ITGA4 (0.52) ITGB1ITGA4ITGB7CTSA
SCHEMBL7423227 0.88 ITGA4 (0.53) ITGB1ITGA4ITGB7CTSA
SCHEMBL7419555 0.87 ITGA4 (0.46) ITGB1ITGA4ITGB7CTSA
SCHEMBL7427083 0.86 ITGB1 (0.55) ITGB1ITGA4ITGB7
SCHEMBL7427051 0.86 ITGB1 (0.55) ITGB1ITGA4ITGB7
SCHEMBL7393025 0.86 ITGA4 (0.55) ITGB1ITGA4ITGB7

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