SCHEMBL8616293

SCHEMBL8616293

CCCCCCCCCCCCC(OC(C)=O)C1=CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
GLS2 Q9UI32 3/20 0.39
PDCD4 Q53EL6 2/20 0.38
PRKCA P17252 2/20 0.38
FAAH O00519 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
PRKCD Q05655 2/20 0.35

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 1.00 ALOX5 (0.44) ALOX5GLS2PDCD4PRKCAFAAH
SCHEMBL8614770 0.87 ALDH1A1 (0.34) ALOX5GLS2PDCD4PRKCAFAAH
SCHEMBL8616623 0.82 HDAC8 (0.42) FAAHALDH1A1
SCHEMBL8614506 0.80 CYP2C19 (0.41) PDCD4
SCHEMBL7294647 0.78 GLS2 (0.44) ALOX5GLS2PDCD4FAAH
SCHEMBL7293046 0.78 GLS2 (0.44) ALOX5GLS2PDCD4FAAH
SCHEMBL8621353 0.77 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL8616611 0.76 PDCD4 (0.43) ALOX5GLS2PDCD4FAAHALDH1A1
SCHEMBL8617164 0.76 PDCD4 (0.43) ALOX5GLS2PDCD4FAAHALDH1A1
SCHEMBL8745838 0.75 ALOX5 (0.40) ALOX5GLS2PDCD4PRKCAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525002-B1 2[5H]-FURANONES SUBSTITUTED IN THE 3 POSITION, AS Ca 2+ CHANNEL ANTAGONISTS AND ANTI-INFLAMMATORY AGENTS ALLERGAN INC (US) 1998-05-13 EP disclosed
US-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
EP-0525002-A1 2[5H]-FURANONES SUBSTITUTED IN THE 3 POSITION, AS Ca 2+ CHANNEL ANTAGONISTS AND ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1993-02-03 EP disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed
WO-1991016048-A1 2(5H)-FURANONES SUBSTITUTED IN THE 3 POSITION, AS Ca2+ CHANNEL ANTAGONISTS AND ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1991-10-31 WO disclosed
US-5043457-A 2(5H)-furanones substituted in the 3 position, as Ca2+ channel antagonists and anti-inflammatory agents ALLERGAN, INC. (US) 1991-08-27 US disclosed