SCHEMBL2032746

SCHEMBL2032746

CC1CCC(C(C)C)C(CC(=O)Oc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.50
TRPM8 Q7Z2W7 1/20 0.45
KCNA5 P22460 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 2/20 0.44
P2RX4 Q99571 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL18541156 0.85 TRPV1 (0.65) TRPV1TRPM8CYP19A1
SCHEMBL3033238 0.80 TRPM8 (0.51) TRPV1TRPM8KCNA5ALDH1A1HPGD
SCHEMBL24540260 0.78 TRPM8 (0.53) TRPV1TRPM8P2RX4
SCHEMBL17363765 0.78 KCNA5 (0.46) TRPV1TRPM8KCNA5ALDH1A1HPGD
Menthol SCHEMBL8187948 0.77 TRPM8 (0.47) TRPV1TRPM8KCNA5ALDH1A1HPGD
SCHEMBL19020350 0.77 CYP19A1 (0.53) TRPM8KCNA5ALDH1A1HPGDLMNA
SCHEMBL4885292 0.76 EPHX1 (0.46) TRPV1TRPM8ALDH1A1HPGDLMNA
SCHEMBL23718853 0.76 EPHX1 (0.46) TRPV1TRPM8ALDH1A1HPGDLMNA
SCHEMBL457824 0.75 EPHX1 (0.51) TRPV1TRPM8KCNA5CYP19A1
SCHEMBL9951572 0.75 EPHX1 (0.51) TRPV1TRPM8KCNA5CYP19A1

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-111108090-A Fragrance precursor 高砂香料工业株式会社 2020-05-05 CN disclosed
JP-2011105647-A DENTIFRICE COMPOSITION LION CORP 2011-06-02 JP disclosed