SCHEMBL7389747

SCHEMBL7389747

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)CN3CCOCC3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.48
ITGB1 P05556 10/20 0.48
CHEK1 O14757 2/20 0.41
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
LYN P07948 1/20 0.37
BTK Q06187 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL7389451 0.91 ITGA4 (0.54) ITGA4ITGB1CHEK1MAPTALOX15
SCHEMBL7418236 0.89 ITGA4 (0.49) ITGA4ITGB1CHEK1MAPTALOX15
SCHEMBL7424042 0.88 ITGA4 (0.49) ITGA4ITGB1CHEK1
SCHEMBL7479257 0.88 ITGA4 (0.49) ITGA4ITGB1CHEK1OPRD1OPRK1
SCHEMBL7422723 0.87 ITGA4 (0.54) ITGA4ITGB1CHEK1
SCHEMBL7425519 0.87 ITGA4 (0.54) ITGA4ITGB1CHEK1
SCHEMBL7388976 0.87 ITGA4 (0.55) ITGA4ITGB1CHEK1
SCHEMBL7427395 0.86 ITGA4 (0.52) ITGA4ITGB1CHEK1
SCHEMBL7648845 0.86 ITGA4 (0.54) ITGA4ITGB1CHEK1SMN1; SMN2
SCHEMBL7422867 0.84 ITGA4 (0.51) 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