SCHEMBL8655608

SCHEMBL8655608

CCCCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CC(=O)OC1(C)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.41
HDAC3 O15379 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
FAAH O00519 6/20 0.40
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
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
SCHEMBL8672436 0.89 HDAC8 (0.34) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8654114 0.88 HDAC8 (0.40) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8654109 0.88 EPHX1 (0.41) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL9745321 0.78 HDAC8 (0.40) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL8653355 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL8616623 0.75 HDAC8 (0.42) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL15271899 0.74 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL10940544 0.74 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL28425391 0.74 KDM4E (0.65) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL15269112 0.74 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579769-B1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN INC (US) 1998-10-21 EP claimed
EP-0579769-A1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1994-01-26 EP claimed
US-5183906-A Antibody inhibitors, antiarthritic agents, antiallergens ALLERGAN, INC. (US) 1993-02-02 US claimed
WO-1992019610-A1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1992-11-12 WO claimed
EP-0579769-B1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN INC (US) 1998-10-21 EP disclosed
US-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
US-5387606-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN, INC. (US) 1995-02-07 US 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-0579769-A1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1994-01-26 EP disclosed
US-5268387-A Containing ester or carbamate group ALLERGAN, INC. (US) 1993-12-07 US disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO disclosed
US-5183906-A Antibody inhibitors, antiarthritic agents, antiallergens ALLERGAN, INC. (US) 1993-02-02 US disclosed
US-5171863-A 2-trialkylsily-4-substituted furan derivatives ALLERGAN, INC. (US) 1992-12-15 US disclosed
WO-1992019610-A1 2- AND 5-ALKYL AND PHENYL SUBSTITUTED 4-(1-HYDROXY, 1-ACYLOXY OR 1-CARBAMOYLOXY)-5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1992-11-12 WO 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