SCHEMBL9401396

SCHEMBL9401396

CCCCCC(C)(C)C(CO)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.38
PPARG P37231 12/20 0.38
PTGES O14684 9/20 0.38
PSEN1 P49768 2/20 0.36
PTGS2 P35354 1/20 0.36
AR P10275 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
SCHEMBL9401543 0.84 ALOX5 (0.36) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401496 0.81 ALDH1A1 (0.34) ALOX5PPARGPTGESADORA3
SCHEMBL9401290 0.81 AR (0.36) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401444 0.81 ALDH1A1 (0.37) ADORA3
SCHEMBL9401563 0.80 ALDH1A1 (0.35) ALOX5PPARGPTGESADORA3
SCHEMBL9408598 0.76 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9408710 0.76 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401420 0.76 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1
SCHEMBL9401619 0.76 ALOX5 (0.41) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401336 0.75 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