SCHEMBL22100808

SCHEMBL22100808

COc1cccc(/C=C/C(=O)N(c2ccccc2)C2CCCCCC2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 9/20 1.00
▸ NFE2L2 Q16236 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALOX5 P09917 1/20 0.46

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
SCHEMBL10271037 1.00 TRPM8 (1.00) TRPM8NFE2L2ALDH1A1MAPTHPGD
SCHEMBL10271034 0.85 TRPM8 (1.00) TRPM8ALDH1A1MAPTKDM4EPOLB
SCHEMBL10271038 0.80 TRPM8 (1.00) TRPM8NFE2L2MAPTKMT2ACYP1A1
SCHEMBL10270947 0.77 TRPM8 (1.00) TRPM8ALDH1A1KDM4EPOLB
SCHEMBL1699151 0.76 TRPM8 (1.00) TRPM8ALDH1A1MAPTKDM4EKMT2A
SCHEMBL1699149 0.76 TRPM8 (1.00) TRPM8ALDH1A1MAPTKDM4EKMT2A
SCHEMBL22100712 0.73 TRPM8 (0.82) TRPM8ALDH1A1MAPTKDM4EPOLB
SCHEMBL457033 0.73 NFE2L2 (0.79) TRPM8NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL6776487 0.73 NFE2L2 (0.79) TRPM8NFE2L2ALDH1A1MAPTKDM4E
SCHEMBL1056670 0.73 NFE2L2 (0.79) TRPM8NFE2L2ALDH1A1MAPTKDM4E

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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