SCHEMBL9519700

SCHEMBL9519700

CCCCC/C(=C/C=C/CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.46
PDE4B Q07343 1/20 0.45
CNR1 P21554 6/20 0.44
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CNR2 P34972 3/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 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
SCHEMBL9519510 1.00 PTAFR (0.46) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9520661 0.99 PTAFR (0.47) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9521062 0.99 PTAFR (0.47) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9519702 0.99 PTAFR (0.47) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9520959 0.96 PDE4B (0.46) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9520765 0.91 PDE4B (0.44) PTAFRPDE4BHDAC3HDAC1HDAC2
SCHEMBL9520013 0.85 CA1 (0.45) PTAFRPDE4BHDAC3HDAC1HDAC2
SCHEMBL10399227 0.85 PTAFR (0.52) PTAFRPDE4BCNR1HDAC3HDAC1
Bicarbonate SCHEMBL9519703 0.85 PTAFR (0.48) PTAFRPDE4BCNR1HDAC3HDAC1
SCHEMBL9519486 0.85 HTR7 (0.47) HDAC3HDAC1HDAC2ALDH1A1LMNA

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