SCHEMBL11800697

SCHEMBL11800697

Cc1cc(CCC(=O)OCCc2ccccc2)cc(C)c1O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.71
TDP1 Q9NUW8 1/20 0.66
APP P05067 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL19047012 0.91 ALOX5 (0.57) ALOX5TDP1APPALDH1A1ESR1
SCHEMBL19047030 0.89 ALOX5 (0.56) ALOX5TDP1APPESR1ESR2
SCHEMBL6071507 0.88 ALOX5 (0.52) ALOX5TDP1APPALDH1A1ESR1
SCHEMBL490699 0.85 APP (0.76) ALOX5TDP1APPL3MBTL1ALDH1A1
SCHEMBL9367557 0.84 TDP1 (0.92) ALOX5TDP1APPL3MBTL1ALDH1A1
SCHEMBL490557 0.84 TDP1 (0.72) ALOX5TDP1APPL3MBTL1ALDH1A1
SCHEMBL491005 0.83 ALOX5 (1.00) ALOX5TDP1APPMAPT
SCHEMBL12386503 0.83 ALOX5 (0.49) ALOX5TDP1APPALDH1A1ESR1
SCHEMBL17264213 0.83 ALOX5 (0.49) ALOX5TDP1APPALDH1A1ESR1
SCHEMBL2045372 0.83 ALOX5 (0.49) ALOX5TDP1APPALDH1A1ESR1

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-3969530-A 4-Hydroxy-3,5-di-alkyl-phenyl-propionic acid composition suitable as lipid lowering and anti-diabetic agents HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed