SCHEMBL9521150

SCHEMBL9521150

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
HTR7 P34969 1/20 0.51
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B3 P37058 6/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL10398788 1.00 GAA (0.52) GAAHTR7PTGS1PTGS2HDAC3
SCHEMBL9521145 1.00 GAA (0.52) GAAHTR7PTGS1PTGS2HDAC3
SCHEMBL565452 0.85 L3MBTL1 (0.44) GAAPTGS1PTGS2HSD17B3
SCHEMBL113321 0.83 CES2 (0.53) PTGS2POLB
SCHEMBL10964304 0.82 CES2 (0.54) PTGS2
SCHEMBL113172 0.82 CES2 (0.54) PTGS2
SCHEMBL3235105 0.82 CES2 (0.54) PTGS2
SCHEMBL10398868 0.82 PTGS1 (0.45) GAAHTR7PTGS1PTGS2HDAC1
SCHEMBL9519610 0.82 PTGS1 (0.45) GAAHTR7PTGS1PTGS2HDAC1
SCHEMBL9519613 0.82 PTGS1 (0.45) GAAHTR7PTGS1PTGS2HDAC1

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 4 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
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed