SCHEMBL8985071

SCHEMBL8985071

CC(=O)OC(CCCCCc1ccc2ccccc2c1)C1=CC(=O)OC1O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NAAA Q02083 2/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
ASAH1 Q13510 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
CES2 O00748 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR5 P35346 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
SCHEMBL8985077 0.88 NAAA (0.43) NAAA
SCHEMBL9671073 0.88 NAAA (0.43) NAAA
SCHEMBL9670637 0.88 NAAA (0.43) NAAA
SCHEMBL8985074 0.87 CYP1A2 (0.37) HDAC1HDAC8NAAACYP1A2CASP1
SCHEMBL9670400 0.86 MMP12 (0.45) HDAC1NAAA
SCHEMBL9671549 0.83 KDM4E (0.42) CYP1A2
SCHEMBL9669974 0.83 NAAA (0.40) NAAA
SCHEMBL9671365 0.83 RARB (0.40) NAAAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9671162 0.83 CYP1A2 (0.33) HDAC1HDAC8NAAACYP1A2CASP1
SCHEMBL9129818 0.83 GLS (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP claimed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US claimed
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
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed