SCHEMBL9401260

SCHEMBL9401260

COc1cc(OC)nc(SC(C=O)C2CCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.34
PPARG P37231 3/20 0.34
ALDH1A1 P00352 3/20 0.34
PTGES O14684 2/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL9384072 0.99 ALDH1A1 (0.36) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401239 0.97 LMNA (0.33) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401395 0.94 LMNA (0.34) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401314 0.84
SCHEMBL9401456 0.83 ALOX5 (0.33) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401557 0.82 ALDH1A1 (0.34) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9385355 0.81 ALOX5 (0.32) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401261 0.81 TAS1R3 (0.33) ALOX5PPARGTAS1R3TAS1R1TAS1R2
SCHEMBL9385359 0.81 ALOX5 (0.32) ALOX5PPARGALDH1A1PTGESPTGS2
SCHEMBL9401185 0.79 LMNA (0.32) ALOX5PPARGALDH1A1PTGESPTGS2

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