SCHEMBL6803235

SCHEMBL6803235

C=C(CCC(C)CC(=O)NCC(C(=O)OC(C)C)c1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
KLK7 P49862 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 2/20 0.33
ASAH1 Q13510 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
SCHEMBL6804827 0.86 HPGD (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27497020 0.70 L3MBTL1 (0.39) HPGDALDH1A1KDM4EGAANPSR1
SCHEMBL6472938 0.70 CYP2C19 (0.51) ALDH1A1KDM4ENPSR1
SCHEMBL6801557 0.69 L3MBTL1 (0.35) HPGDALDH1A1KDM4ENPSR1BCHE
SCHEMBL6798655 0.68
SCHEMBL2293835 0.67 CYP1A2 (0.47) HTTGAAGPR88
SCHEMBL22086920 0.67 POLB (0.50) HTTKLK7GAAGPR88
SCHEMBL22087970 0.67 TSHR (0.45) HTTKLK7GAAGPR88
SCHEMBL2290954 0.67 CRHBP (0.53) ALDH1A1HTTKDM4EGAAHSD17B10
SCHEMBL5808285 0.67 CHRM2 (0.50) KDM4E

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