SCHEMBL9709543

SCHEMBL9709543

C=CCC(CCC(=O)OCC)OCCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
LTA4H P09960 6/20 0.39
TEAD3 Q99594 1/20 0.39
ALOX5 P09917 1/20 0.38
TBXA2R P21731 1/20 0.37
NAAA Q02083 1/20 0.36
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL9709157 0.89 TEAD3 (0.40) TEAD3NAAAALDH1A1FAAH
SCHEMBL9709449 0.81 TBXAS1 (0.41) TBXAS1TBXA2RALDH1A1KMT2A
SCHEMBL9709445 0.81 TBXAS1 (0.41) TBXAS1TBXA2RALDH1A1KMT2A
SCHEMBL9212182 0.79 ALOX5 (0.52) TBXAS1LTA4HALOX5ALDH1A1CYP4F2
SCHEMBL9709696 0.78 TEAD3 (0.44) TEAD3NAAAMEN1ALDH1A1KMT2A
SCHEMBL9709636 0.78 TEAD3 (0.41) TEAD3NAAA
SCHEMBL6105604 0.78 ALOX5 (0.51) TBXAS1LTA4HALOX5ALDH1A1CYP4F2
SCHEMBL5400194 0.78 ALOX5 (0.51) TBXAS1LTA4HALOX5ALDH1A1CYP4F2
SCHEMBL2722347 0.77 ALOX5 (0.53) LTA4HALOX5ALDH1A1CYP4F2CYP4A11
SCHEMBL3630884 0.75 LTA4H (0.49) TBXAS1LTA4HALOX5ALDH1A1KMT2A

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
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed