SCHEMBL9388237

SCHEMBL9388237

CCC(=O)N(N)C(=O)C(Sc1nc(OC)cc(OC)n1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.35
ALOX5 P09917 3/20 0.34
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.32

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
SCHEMBL9388253 0.79 LMNA (0.38) ADORA3ADORA1ALDH1A1
SCHEMBL9230745 0.78 ALOX5 (0.36) ADORA3ADORA1ALDH1A1ALOX5PPARG
SCHEMBL9389241 0.76 EDNRB (0.38) ALDH1A1KMT2AALOX5PPARGPTGES
SCHEMBL9384283 0.76 SMN1; SMN2 (0.37) ALDH1A1ALOX5
SCHEMBL13851482 0.76 ALOX5 (0.44) ALDH1A1ALOX5PPARGPTGES
SCHEMBL16160330 0.76 CYP1A2 (0.44) ADORA3ADORA1ALDH1A1
SCHEMBL13851483 0.76 ALOX5 (0.44) ALDH1A1ALOX5PPARGPTGES
SCHEMBL9082975 0.76 ALOX5 (0.44) ALDH1A1ALOX5PPARGPTGES
SCHEMBL9384049 0.75 EPHX1 (0.34) ALDH1A1ALOX5PPARG
SCHEMBL9383856 0.75 EDNRB (0.39) ALDH1A1KMT2A

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