SCHEMBL8985072

SCHEMBL8985072

[CH2]CCCCc1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DPP4 P27487 4/20 0.35
MAOB P27338 1/20 0.33

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
SCHEMBL27959459 0.98 HDAC1 (0.42) HDAC1HDAC8DPP4MAOB
SCHEMBL12474314 0.93 HDAC1 (0.41) HDAC1HDAC8DPP4MAOB
SCHEMBL27959360 0.83 DPP4 (0.39) HDAC1HDAC8DPP4MAOB
SCHEMBL3139439 0.79 HDAC1 (0.45) HDAC1HDAC8DPP4
SCHEMBL27959353 0.77 ALOX5 (0.46) HDAC1HDAC8DPP4
SCHEMBL28156159 0.77 HDAC1 (0.47) HDAC1HDAC8DPP4MAOB
SCHEMBL27959346 0.77
SCHEMBL2949653 0.76 HDAC1 (0.46) HDAC1HDAC8DPP4MAOB
SCHEMBL28156139 0.76 HDAC1 (0.46) HDAC1HDAC8DPP4MAOB
SCHEMBL27374822 0.76 ALOX5 (0.48) HDAC1HDAC8DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-5013850-A 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents ALLERGAN, INC. (US) 1991-05-07 US disclosed