SCHEMBL3857893

SCHEMBL3857893

CCC1=C(NC(Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)C2(CCCCC2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.61
ITGA4 P13612 20/20 0.61

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
SCHEMBL2984930 1.00 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL5573631 0.93 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL2978142 0.93 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7259450 0.93 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL2982318 0.92 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7259871 0.92 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL2986247 0.92 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL2982307 0.91 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7259860 0.91 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7259448 0.90 ITGB1 (0.61) ITGB1ITGA4

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-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US claimed