SCHEMBL9388267

SCHEMBL9388267

CNN=CC(CC1CCCCC1)Sc1nc(OC)cc(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
PPARG P37231 2/20 0.36
PTGES O14684 1/20 0.36
PTGS2 P35354 1/20 0.36
PSEN1 P49768 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ADORA3 P0DMS8 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL9388260 1.00 ALOX5 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9385727 0.84 ALOX5 (0.41) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401289 0.83 ALOX5 (0.40) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401424 0.79 ALOX5 (0.37) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401296 0.74 ALOX5 (0.41) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401509 0.73 ALOX5 (0.40) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9383334 0.71 L3MBTL1 (0.32)
SCHEMBL9383338 0.71 L3MBTL1 (0.32)
SCHEMBL9385355 0.68 ALOX5 (0.32) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9408714 0.68 ALOX5 (0.53) ALOX5PPARGPTGESPTGS2PSEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588194-A2 Hydrazones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-23 EP disclosed