SCHEMBL9519823

SCHEMBL9519823

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PTAFR P25105 4/20 0.44
GSK3B P49841 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NR1I2 O75469 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
SCHEMBL9519811 1.00 KDM4E (0.46) KDM4ECRHBPHTTCRHR2HDAC3
SCHEMBL9519817 1.00 KDM4E (0.46) KDM4ECRHBPHTTCRHR2HDAC3
SCHEMBL9520367 0.95 ALDH1A1 (0.47) KDM4ECRHBPHTTCRHR2HDAC3
SCHEMBL9520360 0.95 ALDH1A1 (0.47) KDM4ECRHBPHTTCRHR2HDAC3
SCHEMBL9520348 0.95 ALDH1A1 (0.47) KDM4ECRHBPHTTCRHR2HDAC3
SCHEMBL9520289 0.94 CNR1 (0.47) HDAC3HDAC1HDAC2ALDH1A1LMNA
SCHEMBL9519650 0.94 CNR1 (0.47) HDAC3HDAC1HDAC2ALDH1A1LMNA
SCHEMBL9519632 0.94 CNR1 (0.47) HDAC3HDAC1HDAC2ALDH1A1LMNA
SCHEMBL9520301 0.94 CNR1 (0.47) HDAC3HDAC1HDAC2ALDH1A1LMNA
SCHEMBL9519573 0.94 CNR1 (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 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