SCHEMBL7837980

SCHEMBL7837980

O=C(CCCCO)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 17/20 0.71
▸ HDAC6 Q9UBN7 16/20 0.71
▸ HDAC2 Q92769 16/20 0.71
▸ HDAC4 P56524 15/20 0.71
▸ HDAC1 Q13547 15/20 0.71
▸ HDAC7 Q8WUI4 15/20 0.71
▸ HDAC11 Q96DB2 15/20 0.71
▸ HDAC9 Q9UKV0 15/20 0.71
▸ HDAC5 Q9UQL6 15/20 0.71
▸ HDAC3 O15379 14/20 0.71
▸ HDAC10 Q969S8 14/20 0.71
▸ NCOR1 O75376 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ NCOR2 Q9Y618 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ BRD4 O60885 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ EGFR P00533 1/20 0.71
▸ LTA4H P09960 1/20 0.71
▸ NR0B1 P51843 1/20 0.71

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
SCHEMBL10659812 0.98 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL7563467 0.98 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL4403514 0.98 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL1162572 0.98 HDAC8 (0.74) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL4594453 0.94 HDAC8 (0.68) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL517309 0.92 HDAC4 (0.81) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL22661266 0.92 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL22661249 0.92 HDAC8 (0.66) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL6669511 0.90 HDAC4 (0.85) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL1065393 0.90 HDAC4 (0.85) HDAC8HDAC6HDAC2HDAC4HDAC1

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
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