SCHEMBL9670400

SCHEMBL9670400

CC(=O)OC(CCCCCc1ccc(-c2ccccc2)cc1)C1=CC(=O)OC1O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
MGLL Q99685 3/20 0.42
FAAH O00519 2/20 0.39
NAAA Q02083 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL8985077 0.94 NAAA (0.43) FAAHNAAA
SCHEMBL9670637 0.94 NAAA (0.43) FAAHNAAA
SCHEMBL9671073 0.94 NAAA (0.43) FAAHNAAA
SCHEMBL9669974 0.89 NAAA (0.40) MMP12FAAHNAAA
SCHEMBL9671365 0.89 RARB (0.40) NAAA
SCHEMBL8985071 0.86 HDAC1 (0.40) NAAAHDAC1
SCHEMBL9735619 0.84 NAAA (0.35) NAAA
SCHEMBL9735612 0.84 NAAA (0.35) NAAA
SCHEMBL9671190 0.84 ALOX5 (0.36)
Benzene SCHEMBL9328037 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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