SCHEMBL7842320

SCHEMBL7842320

[O]CCCC(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.68
HDAC1 Q13547 14/20 0.68
HDAC7 Q8WUI4 14/20 0.68
HDAC11 Q96DB2 14/20 0.68
HDAC8 Q9BY41 14/20 0.68
HDAC6 Q9UBN7 14/20 0.68
HDAC9 Q9UKV0 14/20 0.68
HDAC5 Q9UQL6 14/20 0.68
HDAC3 O15379 13/20 0.68
HDAC2 Q92769 13/20 0.68
HDAC10 Q969S8 13/20 0.68
CYP3A4 P08684 2/20 0.68
NCOR1 O75376 2/20 0.68
NCOR2 Q9Y618 2/20 0.68
KDM4E B2RXH2 1/20 0.68
BRD4 O60885 1/20 0.68
NR1I2 O75469 1/20 0.68
EGFR P00533 1/20 0.68
LTA4H P09960 1/20 0.68
NR0B1 P51843 1/20 0.68

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
SCHEMBL7837978 0.94 HDAC4 (0.71) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6296181 0.90 HDAC4 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.90 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6289577 0.88 L3MBTL1 (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.88 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.88 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.88 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.88 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL8772746 0.86 HDAC4 (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL3342586 0.85 L3MBTL1 (0.80) HDAC4HDAC1HDAC7HDAC11HDAC8

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-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP disclosed