SCHEMBL9401438

SCHEMBL9401438

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.41
PPARG P37231 10/20 0.41
PTGES O14684 10/20 0.41
PSEN1 P49768 2/20 0.35
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 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
SCHEMBL9401223 0.99 ALOX5 (0.41) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401442 0.95 ALOX5 (0.44) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401371 0.89 ALOX5 (0.38) ALOX5PPARGPTGESPSEN1ADORA3
SCHEMBL9401418 0.84 ALDH1A1 (0.35) ALOX5PPARGPTGESADORA3ADORA1
SCHEMBL9401336 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401232 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401317 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401711 0.83 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401243 0.82 ALOX5 (0.39) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9401619 0.81 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