SCHEMBL20777285

SCHEMBL20777285

CCOc1ccc(/C=C/C(=O)N(C2=NC(C)C=C2)C2CCSC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAOB P27338 8/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37

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
SCHEMBL22074475 0.82 TRPM8 (0.57) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL20777283 0.80 TRPM8 (0.45) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL22074351 0.80 TRPM8 (0.61) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL20773116 0.70 TRPM8 (0.75) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL29779979 0.70 TRPM8 (0.75) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL22074343 0.70 TRPM8 (0.72) KDM4EALDH1A1LMNATRPM8MAPT
SCHEMBL20777359 0.69 TRPM8 (0.54) KDM4EALDH1A1LMNATRPM8MAPT
SCHEMBL30579621 0.69 TRPM8 (0.54) KDM4EALDH1A1LMNATRPM8MAPT
SCHEMBL30579627 0.67 TRPM8 (0.51) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL29779968 0.67 TRPM8 (0.74) KDM4EALDH1A1HTTLMNATRPM8

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
WO-2019043164-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2019-03-07 — — WO disclosed
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