SCHEMBL193387

SCHEMBL193387

CC(C)(C)OC(=O)N[C@@H](CCCBr)C(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.50
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.42
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL193388 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL375989 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192376 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192377 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL376031 0.92 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2064232 0.91 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL2063543 0.91 CACNA1B (0.51) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192830 0.89 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192829 0.89 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL30022028 0.88 CTSK (0.56) CACNA1BHDAC4HDAC1HDAC6CTSK

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217050-B2 Adenine derivative as inhibitors of HSP90 for the treatment of cancer CHROMA THERAPEUTICS LIMITED (GB) 2012-07-10 US disclosed
US-8217050-B2 Adenine derivative as inhibitors of HSP90 for the treatment of cancer CHROMA THERAPEUTICS LIMITED (GB) 2012-07-10 US disclosed
US-8217050-B2 Adenine derivative as inhibitors of HSP90 for the treatment of cancer CHROMA THERAPEUTICS LIMITED (GB) 2012-07-10 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8148531-B2 Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2012-04-03 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
WO-2008056120-A1 ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2008-05-15 WO disclosed
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053157-A1 AMINOHETEROARYL COMPOUNDS AS FOR THE TREATMENT OF DISEASES MEDIATED BY C-MET KINASE ACTIVITY CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053136-A1 2-(HETERO-)ARYL,4-CARBONYL SUBSTITUTED PYRAZOLE DERIVATIVES AS INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 WO disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed