SCHEMBL6169826

SCHEMBL6169826

C=C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.61
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAOB P27338 1/20 0.55
PARP10 Q53GL7 1/20 0.55
PPARG P37231 2/20 0.55
PPARA Q07869 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL8208242 0.85 ALOX5 (0.59) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL2166377 0.83 ALOX5 (0.65) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL224149 0.83 ALOX5 (0.65) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL12963330 0.83 LMNA (0.63) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL1066614 0.83 FFAR1 (0.70) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL5300752 0.83 ALOX5 (0.61) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL41907 0.82 CES1 (0.58) LMNAPTGS1HDAC6L3MBTL1
SCHEMBL4222632 0.81 FFAR1 (0.68) ALOX5NR4A1NR4A2NR4A3FFAR1
Ammonia Solution, Strong SCHEMBL27788257 0.81 FFAR1 (0.68) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL8694782 0.81 SRD5A2 (0.58) FFAR1FFAR4PPARGPPARASRD5A2

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-0888341-B1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-0361365-A1 Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use E.R. SQUIBB & SONS, INC. (US) 1990-04-04 EP disclosed