SCHEMBL9764628

SCHEMBL9764628

CCOC(=O)CC(O)CCCCCCCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.62
TRPV1 Q8NER1 3/20 0.55
ALOX5 P09917 2/20 0.52
F10 P00742 1/20 0.46
F2 P00734 1/20 0.46
LPAR1 Q92633 3/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL9764581 0.82 FAAH (0.46) TRPA1F10F2
SCHEMBL11290693 0.82 F10 (0.50) ALOX5F10F2
SCHEMBL6370572 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL20966571 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL22033713 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL31674543 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL15710472 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL6370981 0.81 GPR84 (0.51) TRPA1TRPV1
SCHEMBL16320515 0.81 TRPA1 (0.74) TRPA1TRPV1
SCHEMBL9772153 0.80 SIRT2 (0.55)

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-5041694-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1991-08-20 US disclosed
US-4965373-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1990-10-23 US disclosed
US-4895973-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & COMPANY (US) 1990-01-23 US disclosed
EP-0194610-B1 SUBSTITUTED GLUTARIC ACID LACTONES IN THE TREATMENT OF HYPERLIPIDEMIA G.D. Searle & Co. (US) 1989-02-22 EP disclosed
US-4622338-A Substituted glutaric acid lactones in the treatment of hyperlipidemia G. D. SEARLE & CO. (US) 1986-11-11 US disclosed
EP-0194610-A1 Substituted glutaric acid lactones in the treatment of hyperlipidemia G.D. Searle & Co. (US) 1986-09-17 EP disclosed