SCHEMBL9519824

SCHEMBL9519824

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
GSK3B P49841 1/20 0.46
NR1I2 O75469 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
NQO2 P16083 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9519828 1.00 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9519833 1.00 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9519817 0.90 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9519823 0.90 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9519811 0.90 KDM4E (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9520348 0.89 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9520360 0.89 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9520367 0.89 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9520301 0.88 CNR1 (0.47) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL9519573 0.88 CNR1 (0.47) HDAC3HDAC1HDAC2HDAC8ALDH1A1

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