SCHEMBL7521641

SCHEMBL7521641

CC1(C)[C@H](C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O)CC[C@]1(C)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.59
ITGB1 P05556 1/20 0.55

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
SCHEMBL7101978 1.00 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7101980 1.00 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL7098683 0.93 ITGA4 (0.51) ITGA4ITGB1
SCHEMBL7098680 0.93 ITGA4 (0.51) ITGA4ITGB1
SCHEMBL7098304 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098305 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102227 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7242947 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7102228 0.93 ITGA4 (0.61) ITGA4ITGB1
SCHEMBL7098069 0.93 ITGA4 (0.61) ITGA4ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO disclosed