SCHEMBL9401283

SCHEMBL9401283

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.59
PPARG P37231 14/20 0.59
PTGES O14684 12/20 0.57
PSEN1 P49768 2/20 0.55
PTGS2 P35354 1/20 0.52
PPARA Q07869 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL9460070 0.78 ALDH1A1 (0.38) ALOX5PPARGPTGESADORA3
SCHEMBL9401547 0.76 ALOX5 (0.44) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9408702 0.76 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401267 0.75 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9367859 0.74 EDNRB (0.44)
SCHEMBL9401274 0.73 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401442 0.73 ALOX5 (0.44) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9562977 0.73 ADORA3 (0.45) ADORA3
SCHEMBL9401416 0.73 CYP1A2 (0.42) ADORA3
SCHEMBL9401619 0.72 ALOX5 (0.41) 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