SCHEMBL9401415

SCHEMBL9401415

CCCCC(C)(C)C(C=O)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.38
PPARG P37231 12/20 0.38
AR P10275 1/20 0.38
PTGES O14684 10/20 0.38
PSEN1 P49768 2/20 0.36
PTGS2 P35354 1/20 0.36
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL9401536 0.96 ALOX5 (0.37) ALOX5PPARGARPTGESPSEN1
SCHEMBL9401328 0.87 ALDH1A1 (0.34) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401241 0.83 ALDH1A1 (0.33) ALOX5PPARGPTGESADORA3
SCHEMBL9401222 0.83 AR (0.36) ALOX5PPARGARPTGESPSEN1
SCHEMBL9401233 0.81 ALDH1A1 (0.34) ALOX5PPARGPTGESADORA3
SCHEMBL9401225 0.81 ALOX5 (0.45) ALOX5PPARGPTGESPSEN1
SCHEMBL9387574 0.81 LMNA (0.36)
SCHEMBL9401251 0.80 ALDH1A1 (0.38) ALOX5PPARGPTGESADORA3
SCHEMBL9401543 0.79 ALOX5 (0.36) ALOX5PPARGARPTGESPSEN1
SCHEMBL9401267 0.76 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2

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