SCHEMBL4583555

SCHEMBL4583555

CCC(=O)C(C(=O)O)C1CC(C)CCC1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
TRPM8 Q7Z2W7 4/20 0.43
TRPA1 O75762 2/20 0.43
KCNA5 P22460 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4583566 0.88 EPHX1 (0.43) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL6525832 0.88 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951257 0.87 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1030886 0.87 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL2968131 0.82 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4312363 0.78 EPHX1 (0.47) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3274993 0.76 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951715 0.76 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4314193 0.76 EPHX1 (0.43) EPHX1TRPM8TRPA1
SCHEMBL851820 0.75 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
EP-1958627-A2 Use of certain menthyl-3-oxocarbonic acid esters as physiological cooling agents Symrise GmbH & Co. KG (DE) 2008-08-20 EP disclosed