SCHEMBL9623281

SCHEMBL9623281

CC1CCC(C(C)C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
TRPV1 Q8NER1 5/20 0.40
TRPM8 Q7Z2W7 5/20 0.39
TRPA1 O75762 2/20 0.39
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL25784654 0.78 EPHX1 (0.46) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL28108983 0.78 EPHX1 (0.46) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL9951715 0.77 EPHX1 (0.53) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL25782603 0.77 TRPM8 (0.62) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL3274993 0.77 EPHX1 (0.53) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL25782581 0.77 TRPM8 (0.62) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL25782579 0.77 TRPM8 (0.62) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL1032282 0.72 EPHX1 (0.49) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL9951821 0.72 EPHX1 (0.49) EPHX1TRPV1TRPM8TRPA1KCNA5
SCHEMBL29018734 0.71 EPHX1 (0.47) EPHX1TRPV1TRPM8TRPA1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262388-B1 DERIVATIVES OF 2-TERT.-BUTYL-4-METHYL-CYCLOHEXANOL, THEIR PREPARATION AND USE AS FRAGRANCE COMPOUNDS BASF Aktiengesellschaft (DE) 1992-03-04 EP claimed
EP-0262388-A2 Derivatives of 2-tert.-butyl-4-methyl-cyclohexanol, their preparation and use as fragrance compounds BASF Aktiengesellschaft (DE) 1988-04-06 EP claimed
EP-0262388-B1 DERIVATIVES OF 2-TERT.-BUTYL-4-METHYL-CYCLOHEXANOL, THEIR PREPARATION AND USE AS FRAGRANCE COMPOUNDS BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed
EP-0262388-A2 Derivatives of 2-tert.-butyl-4-methyl-cyclohexanol, their preparation and use as fragrance compounds BASF Aktiengesellschaft (DE) 1988-04-06 EP disclosed