SCHEMBL9384337

SCHEMBL9384337

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9401358 0.87 ALOX5 (0.39) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9383531 0.84 ALDH1A1 (0.37) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401305 0.83 PTGES (0.38) ALOX5PPARGSMN1; SMN2ADORA3
SCHEMBL9388882 0.82 ADORA3 (0.37) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401285 0.82 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2ADORA3CYP1A2
SCHEMBL9401348 0.81 ALDH1A1 (0.35) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401365 0.81 ALDH1A1 (0.35) ALDH1A1ALOX5PPARGLMNASMN1; SMN2
SCHEMBL9401510 0.79 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2ADORA3CYP1A2
SCHEMBL9401267 0.79 ALOX5 (0.43) ALOX5PPARGADORA3ADORA1
SCHEMBL9401299 0.79 LMNA (0.39) ALDH1A1LMNASMN1; SMN2CYP1A2L3MBTL1

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 3 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-0588194-A2 Hydrazones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-23 EP disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed