SCHEMBL6289577

SCHEMBL6289577

[O]CCC(=O)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 1/20 0.66
HDAC4 P56524 8/20 0.61
HDAC1 Q13547 8/20 0.61
HDAC7 Q8WUI4 8/20 0.61
HDAC11 Q96DB2 8/20 0.61
HDAC8 Q9BY41 8/20 0.61
HDAC6 Q9UBN7 8/20 0.61
HDAC9 Q9UKV0 8/20 0.61
HDAC5 Q9UQL6 8/20 0.61
HDAC3 O15379 7/20 0.61
HDAC2 Q92769 7/20 0.61
HDAC10 Q969S8 7/20 0.61
CYP3A4 P08684 2/20 0.61
KDM4E B2RXH2 1/20 0.61
BRD4 O60885 1/20 0.61
NCOR1 O75376 1/20 0.61
NR1I2 O75469 1/20 0.61
EGFR P00533 1/20 0.61

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
SCHEMBL3342586 0.89 L3MBTL1 (0.80) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL7842320 0.88 HDAC4 (0.68) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL7837978 0.86 HDAC4 (0.71) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL22560048 0.85 L3MBTL1 (0.63) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL6296181 0.84 HDAC4 (0.75) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL517309 0.84 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.83 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.83 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL10435604 0.83 L3MBTL1 (0.66) L3MBTL1MAPTHTTHDAC4HDAC1
SCHEMBL1065393 0.83 HDAC4 (0.85) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US claimed
EP-1242387-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-09-25 EP claimed
WO-2001034575-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-17 WO claimed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
EP-1242387-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
WO-2001034575-A1 SUBSTITUTED PHENYLURACILS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-17 WO 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
US-4886813-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-12-12 US disclosed