SCHEMBL9401425

SCHEMBL9401425

COc1cc(OC)nc(SC(CO)C(C)C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.34
PPARG P37231 4/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGES O14684 2/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL9401331 0.96 ALOX5 (0.35) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401355 0.95 ALDH1A1 (0.37) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401193 0.82 ALDH1A1 (0.38) ALOX5PPARGALDH1A1ADORA3
SCHEMBL9401497 0.81 ALDH1A1 (0.35) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401242 0.79 ALOX5 (0.37) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401418 0.78 ALDH1A1 (0.35) ALOX5PPARGALDH1A1PTGESADORA3
SCHEMBL9401437 0.78 ALDH1A1 (0.38) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401492 0.77 ALOX5 (0.36) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401502 0.77 ALOX5 (0.34) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401370 0.77 ALDH1A1 (0.36) ALOX5PPARGALDH1A1PTGESADORA3

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