SCHEMBL8616623

SCHEMBL8616623

CCCCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CCOC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.42
HDAC3 O15379 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
FAAH O00519 6/20 0.41
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8616293 0.82 ALOX5 (0.44) FAAHALDH1A1
SCHEMBL8621126 0.82 ALOX5 (0.44) FAAHALDH1A1
SCHEMBL8614770 0.78 ALDH1A1 (0.34) FAAHALDH1A1KMT2AL3MBTL1
SCHEMBL9344613 0.76 FAAH (0.43) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8655608 0.75 HDAC8 (0.41) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL10940544 0.75 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL15271899 0.75 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL28425391 0.75 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL15269112 0.75 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL15269043 0.75 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2

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