SCHEMBL9401424

SCHEMBL9401424

COc1cc(OC)nc(SC(C=O)CC2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
PPARG P37231 3/20 0.37
PTGES O14684 2/20 0.37
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL9401289 0.96 ALOX5 (0.40) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9385727 0.95 ALOX5 (0.41) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9383531 0.81 ALDH1A1 (0.37) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9388267 0.79 ALOX5 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9388260 0.79 ALOX5 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9384337 0.78 ALDH1A1 (0.35) ALOX5PPARGALDH1A1LMNASMN1; SMN2
SCHEMBL9388882 0.78 ADORA3 (0.37) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401285 0.78 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL9401348 0.77 ALDH1A1 (0.35) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401365 0.77 ALDH1A1 (0.35) ALOX5PPARGPTGESPSEN1ALDH1A1

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