SCHEMBL7389451

SCHEMBL7389451

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)N(C)C(=O)CN3CCOCC3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 12/20 0.54
ITGB1 P05556 11/20 0.54
CHEK1 O14757 3/20 0.44
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 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
SCHEMBL7389747 0.91 ITGA4 (0.48) ITGA4ITGB1CHEK1RAB9AMAPT
SCHEMBL7427341 0.88 ITGA4 (0.55) ITGA4ITGB1CHEK1RAB9A
SCHEMBL7429378 0.88 ITGA4 (0.59) ITGA4ITGB1CHEK1
SCHEMBL7429626 0.88 ITGB1 (0.59) ITGA4ITGB1CHEK1
SCHEMBL7419719 0.88 ITGA4 (0.55) ITGA4ITGB1CHEK1RAB9AMAPT
SCHEMBL7424689 0.87 ITGB1 (0.55) ITGA4ITGB1CHEK1RAB9AMAPT
SCHEMBL7420868 0.87 ITGA4 (0.61) ITGA4ITGB1CHEK1
SCHEMBL7421315 0.87 ITGB1 (0.57) ITGA4ITGB1CHEK1
SCHEMBL7476969 0.86 ITGA4 (0.60) ITGA4ITGB1CHEK1
SCHEMBL7535880 0.85 ITGA4 (0.55) ITGA4ITGB1CHEK1

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