SCHEMBL8985077

SCHEMBL8985077

CC(=O)OC(CCCCCc1ccccc1)C1=CC(=O)OC1O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.43
FAAH O00519 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL9671073 1.00 NAAA (0.43) NAAAFAAHTRPA1
SCHEMBL9670637 1.00 NAAA (0.43) NAAAFAAHTRPA1
SCHEMBL9669974 0.95 NAAA (0.40) NAAAFAAH
SCHEMBL9670400 0.94 MMP12 (0.45) NAAAFAAH
SCHEMBL9671365 0.90 RARB (0.40) NAAA
SCHEMBL9735612 0.90 NAAA (0.35) NAAA
SCHEMBL9735619 0.90 NAAA (0.35) NAAA
SCHEMBL8985071 0.88 HDAC1 (0.40) NAAA
SCHEMBL9671190 0.88 ALOX5 (0.36)
Benzene SCHEMBL9328037 0.86 PDCD4 (0.45)

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 11 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
CN-1031839-A ANTI-INFLAMMATORY FURANONES ALLERGAN INC (US) 1989-03-22 CN 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