SCHEMBL5744684

SCHEMBL5744684

CC(C)(C)OC(=O)N(CC(=O)O)CC1(c2cccc3c2oc2ccccc23)C=CC(c2ccccc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL5200688 0.77 PPARA (0.42)
SCHEMBL5780394 0.76 ALDH1A1 (0.35)
SCHEMBL5262506 0.76 EPHX2 (0.33)
SCHEMBL5764439 0.74 MAPT (0.33) ALOX5MAPT
SCHEMBL5781491 0.71 ACE (0.37)
SCHEMBL4478553 0.69 ALOX5 (0.40) ALOX5
SCHEMBL5266526 0.67
SCHEMBL5740879 0.67 PTPN2 (0.36)
SCHEMBL5743320 0.67 KEAP1 (0.35) ALOX5
SCHEMBL4824304 0.66 ICMT (0.36) MAPT

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
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed