SCHEMBL22100833

SCHEMBL22100833

C=Cc1c(/C=C/C(=C)N(c2ccccc2)C2CCCCC2)cccc1CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 8/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 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
SCHEMBL22100766 0.85 TRPM8 (0.55) TRPM8ALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL22100703 0.70 TRPM8 (0.75) TRPM8ALDH1A1KDM4EMAPT
SCHEMBL18569422 0.66 KDM4E (0.72) TRPM8ALDH1A1KDM4EMEN1NPC1
SCHEMBL18763039 0.66 TRPM8 (0.67) TRPM8ALDH1A1KDM4EMEN1NPC1
SCHEMBL5592456 0.65 KDM4E (0.58) TRPM8ALDH1A1KDM4EMEN1NPC1
SCHEMBL22100747 0.65 TRPM8 (0.54) TRPM8ALDH1A1MEN1NPC1RAB9A
SCHEMBL19314195 0.65 GABRA1 (0.38) —
SCHEMBL10271037 0.65 TRPM8 (1.00) TRPM8ALDH1A1KDM4EKMT2AMAPT
SCHEMBL22100808 0.65 TRPM8 (1.00) TRPM8ALDH1A1KDM4EKMT2AMAPT
SCHEMBL31425727 0.65 KDM4E (0.57) TRPM8ALDH1A1KDM4EMEN1NPC1

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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