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SCHEMBL9562983

SCHEMBL9562983

COc1cc(OC)nc(SC2(CC(=O)OCc3ccccc3)SCCS2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL9562999 0.84 ADORA3 (0.39) L3MBTL1ALDH1A1MAPT
SCHEMBL9562988 0.83 ADORA3 (0.38) ALDH1A1
SCHEMBL9562982 0.71 ALDH1A1 (0.34) L3MBTL1ALDH1A1MAPK1PTGESALOX5
SCHEMBL9562984 0.70 PTGES (0.43) ALDH1A1PTGESALOX5
SCHEMBL8723367 0.69 MEN1 (0.48) ALDH1A1TP53GLAMAPT
SCHEMBL8406394 0.69 TDP1 (0.51) L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL9562990 0.68 PTGES (0.47) ALDH1A1PTGESALOX5
SCHEMBL9562986 0.67 PTGES (0.40) ALDH1A1PTGESALOX5
SCHEMBL9159299 0.65 EDNRB (0.41) L3MBTL1ALDH1A1MAPK1
SCHEMBL26696627 0.64 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPK1GLAMAPT

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-0573837-A1 Acetal-containing pyrimidinylthioaliphatic acid derivatives useful as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1993-12-15 — — EP disclosed