SCHEMBL8616611

SCHEMBL8616611

CCCCCCCCC(OC(C)=O)C1=CC(O)OC1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 2/20 0.43
GLS2 Q9UI32 3/20 0.43
ALOX5 P09917 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NAAA Q02083 1/20 0.38
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL8617164 1.00 PDCD4 (0.43) PDCD4GLS2ALOX5DAGLANAAA
SCHEMBL9671393 0.81 NAAA (0.42) NAAAFAAH
SCHEMBL8616760 0.80 PDCD4 (0.42) PDCD4DAGLA
SCHEMBL9670652 0.78 MCL1 (0.36)
Benzene SCHEMBL9328037 0.77 PDCD4 (0.45) PDCD4GLS2ALOX5DAGLAALDH1A1
SCHEMBL8653873 0.76 PDCD4 (0.42) PDCD4GLS2ALOX5DAGLANAAA
SCHEMBL8985076 0.76 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL9671381 0.76 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL7294590 0.76 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA
SCHEMBL14339054 0.76 PDCD4 (0.47) PDCD4GLS2ALOX5NAAA

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 9 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-A4 2(5H)-FURANONES SUBSTITUTED IN THE 3 POSITION, AS CA?2+ CHANNEL ANTAGONISTS AND ANTI-INFLAMMATORY AGENTS 1993-03-10 EP 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