SCHEMBL9770122

SCHEMBL9770122

CC1CCC(C(C)C)C(C(C)C(C=O)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.46
TRPA1 O75762 2/20 0.46
EPHX1 P07099 3/20 0.43
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TRPV1 Q8NER1 2/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 2/20 0.36
HPGD P15428 1/20 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
SCHEMBL31443265 0.82 TRPM8 (0.58) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL30604482 0.77 TRPM8 (0.62) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL2333840 0.75 TRPM8 (0.50) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL29136141 0.71 EPHX1 (0.45) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL22744659 0.71 TRPM8 (0.50) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL13465301 0.70 TRPM8 (0.65) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL17284444 0.70 TRPM8 (0.54) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL11316416 0.70 TRPM8 (0.54) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL4389935 0.70 TRPM8 (0.65) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL5713057 0.69 TRPM8 (0.48) TRPM8TRPA1EPHX1KCNA5ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072057-A Isomeric alcohol mixture for producing plasticizers and surfac tants EXXON RESEARCH & ENGINEERING CO. (US) 1991-12-10 US disclosed
US-5030774-A Reacting petroleum distillates with carbon monoxide and hydrogen to form aldehyde in presence of carbonyl compounds hydrogenation to form alcohols EXXON RESEARCH AND ENGINEERING CO. (US) 1991-07-09 US disclosed
US-4922028-A Process for the hydroformylation of sulfur-containing thermally cracked petroleum residue and novel products thereof EXXON RESEARCH & ENGINEERING COMPANY (US) 1990-05-01 US disclosed