SCHEMBL4455481

SCHEMBL4455481

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
TRPM8 Q7Z2W7 5/20 0.44
TRPA1 O75762 2/20 0.42
TRPV1 Q8NER1 2/20 0.37
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL114683 0.84 EPHX1 (0.46) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL29450387 0.79 EPHX1 (0.44) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL4594644 0.79 EPHX1 (0.44) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL11291061 0.78 EPHX1 (0.49) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL15917452 0.77 TRPM8 (0.43) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL16684822 0.77 EPHX1 (0.43) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL21350192 0.77 MEN1 (0.46) TRPM8TRPV1CYP19A1ALDH1A1HPGD
SCHEMBL19020350 0.77 CYP19A1 (0.53) TRPM8CYP19A1ALDH1A1HPGD
SCHEMBL9951572 0.77 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL457824 0.77 EPHX1 (0.51) EPHX1TRPM8TRPA1TRPV1CYP19A1

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
EP-2033688-B1 Oxalic acid derivatives and their use as physiological cooling agents SYMRISE AG (DE) 2012-10-17 EP disclosed
EP-2033688-A2 Oxalic acid derivatives and their use as physiological cooling agents Symrise GmbH & Co. KG (DE) 2009-03-11 EP disclosed