SCHEMBL9408702

SCHEMBL9408702

CCCCOC(=O)C(Sc1nc(OC)cc(OC)n1)C(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.43
PPARG P37231 11/20 0.43
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.40
PTGES O14684 9/20 0.38
PSEN1 P49768 2/20 0.38
PTGS2 P35354 1/20 0.36

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
SCHEMBL9408782 0.77 ALOX5 (0.41) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401416 0.76 CYP1A2 (0.42) ADORA3ADORA1
SCHEMBL9408720 0.76 ALOX5 (0.44) ALOX5PPARGADORA3PTGESPSEN1
SCHEMBL9408743 0.76 ALOX5 (0.42) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9401283 0.76 ALOX5 (0.59) ALOX5PPARGADORA3PTGESPSEN1
SCHEMBL9408921 0.74 ALOX5 (0.43) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9408687 0.74 ALOX5 (0.40) ALOX5PPARGADORA3ADORA1PTGES
SCHEMBL9408598 0.74 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9408767 0.74 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1PTGS2
SCHEMBL9408710 0.74 ALOX5 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593998-A1 Pyrimidinylthioalkane herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-04-27 EP disclosed