SCHEMBL3405364

SCHEMBL3405364

CC1CCC(C(C)C)C(OC2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
ALDH1A1 P00352 5/20 0.49
NFE2L2 Q16236 1/20 0.48
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 1/20 0.40
CYP19A1 P11511 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 1/20 0.38
P2RX4 Q99571 1/20 0.36
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1076263 0.86 ALDH1A1 (0.56) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
Formaldehyde SCHEMBL7793280 0.81 NFE2L2 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL3675071 0.78 ALDH1A1 (0.56) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL31251118 0.77 EPHX1 (0.47) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL14515031 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL117885 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL3338174 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL21610687 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL13927583 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8
SCHEMBL2609249 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1NFE2L2TRPA1TRPM8

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-2256114-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-01 EP disclosed