SCHEMBL9576263

SCHEMBL9576263

CCOC(=O)/C(=C/c1cc(C)c(O)c(C)c1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
RECQL P46063 2/20 0.43
NPC1 O15118 2/20 0.43
CASP1 P29466 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 4/20 0.41

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
SCHEMBL9576265 1.00 ALOX5 (0.45) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL3797454 0.84 KMT2A (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9576131 0.82 PTGS1 (0.50) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL9576141 0.82 PTGS1 (0.50) ALOX5PTGS1PTGS2ALDH1A1MAPT
SCHEMBL15084628 0.78 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28319570 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28070065 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18734638 0.73 RAB9A (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1128796 0.73 CES2 (0.59) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10952556 0.71 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA

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
EP-0334119-B1 COMPOUNDS FOR INHIBITING THE BIOSYNTHESIS OF LIPOXYGENASE-DERIVED METABOLITES OF ARACHIDONIC ACID BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1993-06-16 EP disclosed
EP-0334119-A1 Compounds for inhibiting the biosynthesis of lipoxygenase-derived metabolites of arachidonic acid BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-09-27 EP disclosed