SCHEMBL7647698

SCHEMBL7647698

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)c3ccccc3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.61
ITGA4 P13612 15/20 0.61
ITGB7 P26010 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.42
CTSA P10619 1/20 0.42

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
SCHEMBL7426793 0.96 ITGA4 (0.59) ITGB1ITGA4ITGB7P2RX7CTSA
SCHEMBL7392270 0.95 ITGA4 (0.59) ITGB1ITGA4ITGB7P2RX7CTSA
SCHEMBL7561313 0.92 ITGB1 (0.63) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7587137 0.91 ITGB1 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7587157 0.91 ITGB1 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7419462 0.91 ITGA4 (0.61) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7389750 0.90 ITGA4 (0.53) ITGB1ITGA4ITGB7CTSA
SCHEMBL7585955 0.90 ITGB1 (0.57) ITGB1ITGA4ITGB7KMT2A
SCHEMBL7646545 0.90 ITGB1 (0.60) ITGB1ITGA4ITGB7P2RX7
SCHEMBL7476951 0.90 ITGA4 (0.60) ITGB1ITGA4MEN1KMT2AP2RX7

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