SCHEMBL10399321

SCHEMBL10399321

CCCC/C(=C\C=C\C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.52
PDE4B Q07343 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PTGS2 P35354 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41

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
SCHEMBL10399322 1.00 PTAFR (0.52) PTAFRPDE4BKDM4ECRHBPHTT
SCHEMBL10399226 0.96 PTAFR (0.52) PTAFRPDE4BKDM4ECRHBPHTT
SCHEMBL10399227 0.96 PTAFR (0.52) PTAFRPDE4BKDM4ECRHBPHTT
SCHEMBL10399228 0.96 PTAFR (0.52) PTAFRPDE4BKDM4ECRHBPHTT
SCHEMBL10399183 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM
SCHEMBL10398908 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM
SCHEMBL10398954 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM
SCHEMBL10398907 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM
SCHEMBL10399186 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM
SCHEMBL10398955 0.95 PTAFR (0.53) PTAFRPDE4BTHRBATM

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
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed