SCHEMBL6828409

SCHEMBL6828409

CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 1.00
ITGA4 P13612 20/20 1.00
ITGA2 P17301 1/20 0.86
ITGB7 P26010 1/20 0.86

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
Alcohol SCHEMBL6828408 0.98 ITGB1 (0.96) ITGB1ITGA4ITGA2ITGB7
SCHEMBL14802063 0.93 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6641625 0.93 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL480284 0.93 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
Alcohol SCHEMBL6829612 0.92 ITGB1 (0.94) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6638294 0.92 ITGB1 (0.98) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6582547 0.91 ITGB1 (0.84) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6643317 0.90 ITGB1 (0.82) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7542199 0.88 ITGB1 (1.00) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639281 0.88 ITGB1 (0.88) ITGB1ITGA4ITGA2ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154987-B1 PHENYLALANINOL DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-04-21 EP disclosed
US-6420600-B1 HYDROXYALKYLPHENYLDIAMIDES HOFFMAN-LA ROCHE INC. 2002-07-16 US disclosed
EP-1154987-A1 PHENYLALANINOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-21 EP disclosed
WO-2000048988-A1 PHENYLALANINOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-24 WO disclosed