SCHEMBL9385355

SCHEMBL9385355

COc1cc(OC)nc(SC(/C=N/N)C2CCCCC2)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.32
PPARG P37231 2/20 0.32
PTGES O14684 1/20 0.32
PTGS2 P35354 1/20 0.32
PSEN1 P49768 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9385359 1.00 ALOX5 (0.32) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9384072 0.83 ALDH1A1 (0.36) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401260 0.81 ALOX5 (0.34) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401239 0.79 LMNA (0.33) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401395 0.75 LMNA (0.34) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401557 0.73 ALDH1A1 (0.34) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401437 0.72 ALDH1A1 (0.38) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401456 0.71 ALOX5 (0.33) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401242 0.70 ALOX5 (0.37) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL9401355 0.70 ALDH1A1 (0.37) 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