SCHEMBL6808355

SCHEMBL6808355

COCCOC(=O)CC(c1ccccc1)N(CCC(=O)NOCc1ccccc1)C(=O)CCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MMP9 P14780 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP1 P29466 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LTA4H P09960 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6796434 0.87 HPGD (0.37) HDAC3HPGDALDH1A1
SCHEMBL4431937 0.73 HDAC1 (0.37) HDAC3NCOR2MMP9MEN1KMT2A
SCHEMBL6808353 0.70 CAPN1 (0.38) NPC1RAB9A
SCHEMBL1569229 0.68 BACE1 (0.48) HDAC3NCOR2NPC1RAB9ALTA4H
SCHEMBL4421993 0.67 MMP3 (0.40) HDAC3MMP9MEN1KMT2A
SCHEMBL28840174 0.66 NPC1 (0.60) HDAC3NCOR2NPC1RAB9AALDH1A1
SCHEMBL12304173 0.66 NPC1 (0.56) HDAC3NCOR2MMP9NPC1RAB9A
SCHEMBL27497357 0.65 TRPM8 (0.37) MEN1KMT2A
SCHEMBL1138714 0.64 TSHR (0.47) HPGDALDH1A1KMT2A
SCHEMBL1568992 0.64 L3MBTL1 (0.41) HDAC3NCOR2NPC1RAB9ACASP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed