SCHEMBL9340641

SCHEMBL9340641

CC1CCC(C(C)C)C(C2CCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.55
TRPA1 O75762 2/20 0.55
EPHX1 P07099 3/20 0.43
ALDH1A1 P00352 3/20 0.38
KCNA5 P22460 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
LMNA P02545 2/20 0.33
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL9487930 0.96 TRPM8 (0.55) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL18428166 0.92 TRPM8 (0.47) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL8548065 0.91 TRPM8 (0.59) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL4877337 0.90 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL31652833 0.84 TRPM8 (0.49) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL9080881 0.84 TRPM8 (0.60) TRPM8TRPA1EPHX1ALDH1A1KCNA5
Formamide SCHEMBL28146157 0.82 TRPM8 (0.50) TRPM8TRPA1EPHX1ALDH1A1KCNA5
Formamide SCHEMBL28226962 0.81 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL28128278 0.81 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1KCNA5
SCHEMBL27969261 0.76 TRPA1 (0.47) TRPM8TRPA1EPHX1ALDH1A1KCNA5

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-5298628-A Catalytical reduction with hydrogen and cylcizing in presence of hydrogenation catalyst, etherification SCHERING AKTIENGESELLSCHAFT (DE) 1994-03-29 US claimed