SCHEMBL8024177

SCHEMBL8024177

CC1CCC(C2CCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 0.30

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
SCHEMBL9441857 0.97 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL2252062 0.97 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL5779865 0.97 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL17800105 0.97 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL4764671 0.92 ALDH1A1 (0.39) ALDH1A1L3MBTL1TRPA1TRPM8
SCHEMBL9802737 0.89 ALDH1A1 (0.44) ALDH1A1
SCHEMBL27114563 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL5917552 0.85 ALDH1A1 (0.53) ALDH1A1EPHX1
SCHEMBL11829644 0.85 ALDH1A1 (0.53) ALDH1A1EPHX1
SCHEMBL22938022 0.85 ALDH1A1 (0.53) ALDH1A1EPHX1

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-0975586-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION Sumitomo Chemical Company, Limited (JP) 2000-02-02 EP disclosed
WO-1998045254-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-15 WO disclosed