SCHEMBL9563008

SCHEMBL9563008

CCOC(=O)C(Sc1nc(OC)cc(OC)n1)C1CCSS1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ALOX5 P09917 4/20 0.34
PPARG P37231 3/20 0.34
PTGES O14684 2/20 0.34
ADORA1 P30542 1/20 0.34
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.31
PRNP P04156 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
SCHEMBL9563044 0.94 ALOX5 (0.34) ALDH1A1KDM4EMAPTADORA3ALOX5
SCHEMBL9562992 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EADORA3ALOX5PPARG
SCHEMBL9563033 0.86 ALOX5 (0.36) ALDH1A1KDM4EALOX5PPARGPTGES
SCHEMBL9562986 0.86 PTGES (0.40) ALDH1A1ALOX5PPARGPTGESPSEN1
SCHEMBL9563019 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EADORA3ALOX5PPARG
SCHEMBL9563001 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTADORA3ALOX5
SCHEMBL9563041 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTADORA3ALOX5
SCHEMBL9563037 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTADORA3ALOX5
SCHEMBL9367377 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTADORA3ALOX5
SCHEMBL9563035 0.73 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTADORA3ALOX5

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