SCHEMBL4593967

SCHEMBL4593967

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
TRPM8 Q7Z2W7 5/20 0.39
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP19A1 P11511 2/20 0.35
P2RX4 Q99571 1/20 0.35
SERPINE1 P05121 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL29450387 0.93 EPHX1 (0.44) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
SCHEMBL4594644 0.93 EPHX1 (0.44) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
SCHEMBL8375724 0.87 EPHX1 (0.42) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
SCHEMBL113449 0.80 TRPM8 (0.48) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
Menthol SCHEMBL28395814 0.78 TRPM8 (0.55) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
SCHEMBL9951572 0.77 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1
SCHEMBL457824 0.77 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1
SCHEMBL4455481 0.75 EPHX1 (0.44) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
SCHEMBL114683 0.75 EPHX1 (0.46) EPHX1TRPM8TRPA1ALDH1A1CYP19A1
Formaldehyde SCHEMBL31298519 0.74 EPHX1 (0.49) EPHX1TRPM8TRPA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541039-B1 Flavour composition comprising cubebol and a further refreshing agent FIRMENICH & CIE (CH) 2008-01-02 EP claimed