SCHEMBL22100754

SCHEMBL22100754

O=C(/C=C/c1ccccc1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.73
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL10575004 0.86 TRPM8 (0.69) TRPM8ALDH1A1SMN1; SMN2NPC1L3MBTL1
SCHEMBL10271035 0.84 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2NPC1
SCHEMBL1699151 0.83 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2NPC1L3MBTL1
SCHEMBL1699149 0.83 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2NPC1L3MBTL1
SCHEMBL1151509 0.81 ESR1 (0.64) TRPM8
SCHEMBL1151508 0.81 ESR1 (0.64) TRPM8
SCHEMBL13277569 0.81 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2
SCHEMBL10270778 0.81 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2
SCHEMBL10270353 0.79 TRPM8 (0.66) TRPM8ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10270345 0.77 TRPM8 (1.00) TRPM8ALDH1A1SMN1; SMN2L3MBTL1LMNA

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