SCHEMBL9520428

SCHEMBL9520428

CCCCC/C(=C/C=C/CC(=O)O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
GPR52 Q9Y2T5 1/20 0.38
LMNA P02545 2/20 0.37
F7 P08709 4/20 0.37
F3 P13726 4/20 0.37
FFAR1 O14842 3/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
ESR1 P03372 1/20 0.37
SRD5A2 P31213 1/20 0.37
CASP6 P55212 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 4/20 0.36
DUSP3 P51452 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
SCHEMBL9519693 1.00 TBXAS1 (0.39) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL10399010 0.85 CES2 (0.40) TBXAS1PTGS1PTGS2CES2CES1
Bicarbonate SCHEMBL9520434 0.85 CES2 (0.40) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL10399158 0.85 CES2 (0.40) TBXAS1PTGS1PTGS2CES2CES1
Bicarbonate SCHEMBL9519696 0.85 CES2 (0.40) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL10399012 0.85 CES2 (0.40) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL9519486 0.85 HTR7 (0.47) PTGS1PTGS2LMNAF7F3
SCHEMBL9519610 0.81 PTGS1 (0.45) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL10398868 0.81 PTGS1 (0.45) TBXAS1PTGS1PTGS2CES2CES1
SCHEMBL9519613 0.81 PTGS1 (0.45) TBXAS1PTGS1PTGS2CES2CES1

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-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed