SCHEMBL26062395

SCHEMBL26062395

C=CSc1ccc(CC)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE2A O00408 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
KIF11 P52732 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL24283376 0.86 SKP2 (0.39) ALOX5CYP1A2MAPTNPC1RAB9A
SCHEMBL19631221 0.81 SLC6A2 (0.47) TRPA1CYP1A2CYP2A6KIF11SLC6A2
SCHEMBL575394 0.78 SLC6A2 (0.41) TRPA1ALOX5PTGS1PTGS2PDE2A
SCHEMBL575559 0.78 TRPA1 (0.41) TRPA1ALOX5PTGS1PTGS2PDE2A
SCHEMBL11697189 0.77 ALOX5 (0.31) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL11697185 0.77 ALOX5 (0.31) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL7767017 0.76 HAO1 (0.40) PTGS1PTGS2CYP1A2CYP2A6SLC6A4
SCHEMBL12303991 0.76 TRPA1 (0.40) TRPA1ALOX5PTGS1PTGS2PDE2A
SCHEMBL19431333 0.75 KDM4E (0.38) TRPA1CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL27353332 0.75 TRPA1 (0.39) TRPA1ALOX5PTGS1PTGS2PDE2A

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-3672958-B1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-08-02 EP disclosed