SCHEMBL7422611

SCHEMBL7422611

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)NC(=O)c3ccc(OC)c(OC)c3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.47
ITGB1 P05556 11/20 0.47
CTSA P10619 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ITGB7 P26010 1/20 0.40
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7421102 0.94 ITGA4 (0.49) ITGA4ITGB1CTSAITGB7
SCHEMBL7427485 0.94 ITGA4 (0.48) ITGA4ITGB1CTSASMN1; SMN2ITGB7
SCHEMBL7647725 0.90 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7650597 0.88 ITGA4 (0.53) ITGA4ITGB1ITGB7
SCHEMBL7387634 0.88 ITGA4 (0.51) ITGA4ITGB1ITGB7P2RX7
SCHEMBL7390235 0.88 ITGA4 (0.53) ITGA4ITGB1ITGB7
SCHEMBL7383435 0.88 ITGA4 (0.46) ITGA4ITGB1SMN1; SMN2ITGB7LMNA
SCHEMBL7587960 0.88 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2P2RX7
SCHEMBL7423227 0.88 ITGA4 (0.53) ITGA4ITGB1CTSASMN1; SMN2ITGB7
SCHEMBL7419555 0.87 ITGA4 (0.46) ITGA4ITGB1CTSAITGB7

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