SCHEMBL7646545

SCHEMBL7646545

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CCCC(=O)O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.60
ITGA4 P13612 19/20 0.60
ITGB7 P26010 1/20 0.45
P2RX7 Q99572 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
SCHEMBL7587157 0.95 ITGB1 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7587137 0.95 ITGB1 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7419462 0.91 ITGA4 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7561313 0.91 ITGB1 (0.63) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7647698 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL5700893 0.89 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL5700889 0.89 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL7651105 0.88 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL7423364 0.88 ITGB1 (0.57) ITGB1ITGA4ITGB7
SCHEMBL7646597 0.88 ITGB1 (0.59) 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 1 patent. 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