SCHEMBL25733768

SCHEMBL25733768

C=C(CS)NC(C)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL23917489 0.80 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL18757586 0.75 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL13151249 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL21985062 0.71 ANPEP (0.36) NPC1ALDH1A1RAB9A
SCHEMBL15026819 0.70 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL13979487 0.67 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL24672977 0.64 ANPEP (0.31)
SCHEMBL29347758 0.64 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL2311907 0.62 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1
SCHEMBL15107752 0.62 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1ALDH1A1

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-2023109932-A1 DSRNA AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海拓界生物医药科技有限公司 2023-06-22 WO disclosed