SCHEMBL18922731

SCHEMBL18922731

CCOCc1ccc(COCC(C)C(C)C)o1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL631961 0.82 ALOX5 (0.49) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL17791258 0.77 ALOX5 (0.45) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL12508123 0.76 ALOX5 (0.56) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL1020196 0.75 ALOX5 (0.47) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL631723 0.73 ALOX5 (0.46) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL10976512 0.73 HSD17B10 (0.40) ALOX5NPC1RAB9APOLBMAPK1
SCHEMBL17791255 0.73 ALOX5 (0.46) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL632041 0.71 CHRM2 (0.47) ALOX5NPC1RAB9AL3MBTL1POLB
SCHEMBL1911100 0.71
SCHEMBL12438303 0.71

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
US-9670174-B2 Mono- and dialkyl ethers of furan-2,5-dimethanol and (tetra-hydrofuran-2,5-diyl)dimethanol and amphiphilic derivatives thereof ARCHER DANIELS MIDLAND COMPANY (US) 2017-06-06 US disclosed