SCHEMBL9519486

SCHEMBL9519486

CCCCC/C(=C\C=C\CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
GAA P10253 1/20 0.45
PTGS1 P23219 3/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 5/20 0.40
F7 P08709 4/20 0.40
F3 P13726 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
FFAR1 O14842 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ESR1 P03372 1/20 0.40
SRD5A2 P31213 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP19A1 P11511 2/20 0.39
FABP4 P15090 2/20 0.39

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 0.85 TBXAS1 (0.39) PTGS1PTGS2PPARGF7F3
SCHEMBL9520428 0.85 TBXAS1 (0.39) PTGS1PTGS2PPARGF7F3
SCHEMBL9519510 0.85 PTAFR (0.46) ALDH1A1KDM4ELMNAHDAC3HDAC1
SCHEMBL9519700 0.85 PTAFR (0.46) ALDH1A1KDM4ELMNAHDAC3HDAC1
SCHEMBL10399069 0.84 HTR7 (0.49) HTR7GAAPTGS1PTGS2TDP1
SCHEMBL10399071 0.84 HTR7 (0.49) HTR7GAAPTGS1PTGS2TDP1
Bicarbonate SCHEMBL9519493 0.84 HTR7 (0.49) HTR7GAAPTGS1PTGS2ALDH1A1
SCHEMBL9521062 0.84 PTAFR (0.47) TSHRHDAC3HDAC1HDAC2TP53
SCHEMBL9520661 0.84 PTAFR (0.47) TSHRHDAC3HDAC1HDAC2TP53
SCHEMBL9519702 0.84 PTAFR (0.47) TSHRHDAC3HDAC1HDAC2TP53

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