SCHEMBL8745838

SCHEMBL8745838

CCCCCCCCCCCCC(OC(C)=O)C1=C(C)C(=O)OC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
DUSP3 P51452 1/20 0.36
GLS2 Q9UI32 3/20 0.36
PDCD4 Q53EL6 2/20 0.35
PRKCD Q05655 2/20 0.34
PRKCA P17252 2/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL8621126 0.75 ALOX5 (0.44) ALOX5GLS2PDCD4PRKCDPRKCA
SCHEMBL8616293 0.75 ALOX5 (0.44) ALOX5GLS2PDCD4PRKCDPRKCA
SCHEMBL7293046 0.75 GLS2 (0.44) ALOX5GLS2PDCD4FAAH
SCHEMBL7294647 0.75 GLS2 (0.44) ALOX5GLS2PDCD4FAAH
SCHEMBL11424049 0.74 ALOX5 (0.51) ALOX5GLS2FAAH
SCHEMBL8653873 0.73 PDCD4 (0.42) ALOX5GLS2PDCD4FAAH
SCHEMBL8616611 0.69 PDCD4 (0.43) ALOX5GLS2PDCD4FAAH
SCHEMBL8617164 0.69 PDCD4 (0.43) ALOX5GLS2PDCD4FAAH
SCHEMBL9340624 0.69 ALDH1A1 (0.49)
SCHEMBL27477569 0.69 ALDH1A1 (0.49)

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
EP-0755389-A1 3 AND 5 ALKYL AND PHENYL 4-(HYDROXY OR ACYLOXY)-ALKYL SUBSTITUTED 2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS Allergan (US) 1997-01-29 EP disclosed
WO-1995028394-A1 3 AND 5 ALKYL AND PHENYL 4-(HYDROXY OR ACYLOXY)-ALKYL SUBSTITUTED 2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN (US) 1995-10-26 WO disclosed
US-5451686-A 3 and 5 alkyl and phenyl 4-(hydroxy or acyloxy)-alkyl substituted 2(5H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1995-09-19 US disclosed