SCHEMBL8614770

SCHEMBL8614770

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.34
PRKCD Q05655 2/20 0.33
PRKCA P17252 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
PDCD4 Q53EL6 1/20 0.32
GLS2 Q9UI32 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
FAAH O00519 1/20 0.32

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 0.87 ALOX5 (0.44) ALDH1A1ALOX5PRKCDPRKCAPDCD4
SCHEMBL8616293 0.87 ALOX5 (0.44) ALDH1A1ALOX5PRKCDPRKCAPDCD4
SCHEMBL8616623 0.78 HDAC8 (0.42) ALDH1A1L3MBTL1KMT2AFAAH
SCHEMBL8614506 0.76 CYP2C19 (0.41) PDCD4
SCHEMBL1954978 0.74 ALDH1A1 (0.46) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL1838374 0.74 ALDH1A1 (0.46) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL1834481 0.74 ALDH1A1 (0.46) ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL8621353 0.73 ALDH1A1 (0.39) ALDH1A1ZDHHC7MEN1MAPTKMT2A
SCHEMBL1837181 0.72 ALDH1A1 (0.44) ALDH1A1PRSS1PRSS2PRSS3POLB
SCHEMBL9745643 0.70 PDCD4 (0.38) ALDH1A1L3MBTL1POLBPDCD4

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