SCHEMBL9401437

SCHEMBL9401437

COc1cc(OC)nc(SC(CO)C2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
ALOX5 P09917 4/20 0.38
PPARG P37231 3/20 0.38
PTGES O14684 2/20 0.38
PTGS2 P35354 1/20 0.38
PSEN1 P49768 1/20 0.38
ADRB2 P07550 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPK1 P28482 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
SCHEMBL9401242 0.99 ALOX5 (0.37) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401307 0.96 ALOX5 (0.34) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401497 0.93 ALDH1A1 (0.35) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401355 0.84 ALDH1A1 (0.37) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401192 0.83 ALDH1A1 (0.32) ALDH1A1ALOX5PPARGPTGESTSHR
SCHEMBL9401331 0.82 ALOX5 (0.35) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9408842 0.81 ALDH1A1 (0.40) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401296 0.78 ALOX5 (0.41) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401425 0.78 ALOX5 (0.34) ALDH1A1ALOX5PPARGPTGESPTGS2
SCHEMBL9401509 0.77 ALOX5 (0.40) ALDH1A1ALOX5PPARGPTGESPTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed