SCHEMBL22100756

SCHEMBL22100756

COc1cccc(/C=C/C(O)N(c2ccccn2)C2CCCCC2)c1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 11/20 0.66
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.40
▸ NFE2L2 Q16236 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10271034 0.79 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBLMNA
SCHEMBL14099270 0.69 ALDH1A1 (0.48) TRPM8ALDH1A1LMNAMAPTMEN1
SCHEMBL22100808 0.67 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBNFE2L2
SCHEMBL10271037 0.67 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLBNFE2L2
SCHEMBL6296360 0.63 KRAS (0.67) TRPM8ALDH1A1KDM4ELMNANFE2L2
SCHEMBL6296362 0.63 KRAS (0.67) TRPM8ALDH1A1KDM4ELMNANFE2L2
SCHEMBL118591 0.63 NFE2L2 (0.79) KDM4ENFE2L2MAPTHSD17B10MEN1
SCHEMBL615385 0.62 NFE2L2 (0.77) KDM4ENFE2L2MAPTHSD17B10
SCHEMBL18634171 0.62 NFE2L2 (0.56) TRPM8ALDH1A1NFE2L2MAPTKMT2A
SCHEMBL14139451 0.61 LCK (0.58) TRPM8ALDH1A1LMNAMAPTMEN1

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-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 — — EP disclosed
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