SCHEMBL9537626

SCHEMBL9537626

CCc1c(OC)cc(O)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
HMGCR P04035 2/20 0.46
IDO1 P14902 1/20 0.42
PTGS2 P35354 2/20 0.41
FASN P49327 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKCE Q02156 2/20 0.38
MYLK Q15746 2/20 0.38

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
SCHEMBL3962866 0.77 SELL (0.39) ALOX5MAPK1ALDH1A1MAPTHPGD
SCHEMBL12696227 0.77 MAPT (0.52) ALOX5HMGCRPTGS2MAPK1TSHR
SCHEMBL11118341 0.75 CETP (0.51) ALOX5PTGS2MAPK1TSHRTAAR1
SCHEMBL20710968 0.75 MAPK1 (0.48) ALOX5PTGS2MAPK1TSHRTAAR1
SCHEMBL27737329 0.75 PTGS2 (0.54) ALOX5HMGCRPTGS2MAPK1ALDH1A1
SCHEMBL25329721 0.73 ALOX5 (0.41) ALOX5HMGCRIDO1PTGS2FASN
SCHEMBL5141818 0.73 IDO1 (0.39) ALOX5HMGCRIDO1PTGS2FASN
SCHEMBL10062369 0.72 PTGS2 (0.59) ALOX5PTGS2MAPK1TSHRTAAR1
SCHEMBL20012857 0.72 GAA (0.44) ALOX5HMGCRPTGS2MAPK1TSHR
SCHEMBL25331374 0.72 ALOX5 (0.40) ALOX5HMGCRIDO1PTGS2FASN

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
WO-1993004152-A1 A POWDER DETERGENT FOR DISHWASHING MACHINES, AND ITS MANUFACTURE KOMMENTUS ECOGREEN AKTIEBOLAG (SE) 1993-03-04 WO claimed
WO-1993004152-A1 A POWDER DETERGENT FOR DISHWASHING MACHINES, AND ITS MANUFACTURE KOMMENTUS ECOGREEN AKTIEBOLAG (SE) 1993-03-04 WO disclosed