SCHEMBL9474180

SCHEMBL9474180

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
TRPM8 Q7Z2W7 5/20 0.47
TRPA1 O75762 2/20 0.47
TRPV1 Q8NER1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KCNA5 P22460 1/20 0.38
LMNA P02545 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL9474169 0.88 EPHX1 (0.50) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL4389938 0.77 TRPM8 (0.52) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL1031341 0.77 EPHX1 (0.41) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL29243148 0.77 EPHX1 (0.46) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL1030886 0.77 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL9951715 0.77 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL9951257 0.77 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL3274993 0.77 EPHX1 (0.53) EPHX1TRPM8TRPA1TRPV1KCNA5
SCHEMBL16456973 0.76 EPHX1 (0.49) EPHX1TRPM8TRPA1TRPV1ALDH1A1
SCHEMBL112766 0.76 EPHX1 (0.49) EPHX1TRPM8TRPA1TRPV1ALDH1A1

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
US-5266592-A Ketals HAARMANN & REIMER GMBH (DE) 1993-11-30 US disclosed