SCHEMBL694115

SCHEMBL694115

CC1CCC(C(C)C)C(C(CCO)C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
TRPM8 Q7Z2W7 4/20 0.42
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
CYP19A1 P11511 2/20 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
SCHEMBL28953820 0.88 EPHX1 (0.54) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL18280698 0.86 EPHX1 (0.45) EPHX1TRPM8TRPA1ALDH1A1TRPV1
SCHEMBL30024164 0.84 EPHX1 (0.54) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL21611750 0.83 EPHX1 (0.53) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL8694409 0.77 EPHX1 (0.61) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL19209892 0.76 EPHX1 (0.47) EPHX1TRPM8TRPA1ALDH1A1TRPV1
SCHEMBL31152467 0.76 TRPM8 (0.48) EPHX1TRPM8TRPA1ALDH1A1TRPV1
SCHEMBL584284 0.75 EPHX1 (0.48) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL29029157 0.75 EPHX1 (0.43) EPHX1TRPM8TRPA1ALDH1A1HPGD
SCHEMBL4312363 0.73 EPHX1 (0.47) EPHX1TRPM8TRPA1ALDH1A1TRPV1

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-2421820-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. Mane Fils (FR) 2012-02-29 EP disclosed
WO-2010122239-A1 COMPOUNDS HAVING A PHYSIOLOGICAL EFFECT V. MANE FILS (FR) 2010-10-28 WO disclosed