SCHEMBL9796233

SCHEMBL9796233

CCCCCC(OC(=O)CC)c1cccc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34

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
SCHEMBL9796301 0.89 CNR2 (0.36) CNR2CYSLTR2CYSLTR1
SCHEMBL9796286 0.88 CYSLTR2 (0.37) CNR2PPARGPPARACYSLTR2CYSLTR1
SCHEMBL9795950 0.85 PRKCA (0.36) CNR2PPARGPPARA
SCHEMBL9796092 0.83 AOC3 (0.39) PPARGPPARA
SCHEMBL28627988 0.77 POLB (0.47) CNR2PPARGPPARA
SCHEMBL10638974 0.77 MAPK1 (0.43) CYSLTR2CYSLTR1
SCHEMBL9796116 0.76 KDM4E (0.44)
SCHEMBL15155229 0.76 PRKCA (0.40) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL15155209 0.76 PRKCA (0.40) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL16672537 0.76 EPHX1 (0.40) PPARGPPARA

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-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0224086-B1 SUBSTITUTED BENZYL ETHERS BAYER AG (DE) 1990-10-24 EP disclosed
EP-0224086-A2 Substituted benzyl ethers BAYER AG (DE) 1987-06-03 EP disclosed