SCHEMBL6248155

SCHEMBL6248155

CC(C)(C)OC(=O)CC(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PGD P52209 1/20 0.33
FOLH1 Q04609 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MLYCD O95822 7/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL6250770 1.00 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8133983 1.00 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28086823 0.92 KMT2A (0.39) CYP2D6MEN1GAAKMT2APGD
SCHEMBL4838441 0.89 KMT2A (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL34469067 0.89 KMT2A (0.37) CYP2D6MEN1GAAKMT2APGD
SCHEMBL28321681 0.87 MEN1 (0.33) CYP2D6MEN1GAAKMT2APGD
SCHEMBL16666623 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21996181 0.82 CA2 (0.37) MEN1GAAKMT2APGDFOLH1
SCHEMBL27878047 0.82 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29259118 0.81 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856315-B1 PROTEIN-FARNESYLTRANSFERASE INHIBITORS IN COMBINATION WITH HMGCOA-REDUCTASE-INHIBITORS FOR THE TREATMENT OF AIDS BANYU PHARMA CO LTD (JP) 2005-08-24 EP disclosed
US-6083985-A LOVASTATIN, SIMVASTATIN, PRAVASTATIN OR FLUVASTATIN OR DERIVATIVES DECREASES FARNESYL PYROPHOSPHATE IN VIVO; PROTEIN-FARNESYLTRANSFERASE INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6017956-A AN ANTITUMOR AGENT, AN ENZYME INHIBITOR FOR INHIBITING PROTEIN-FARNESYL TRANSFERASE TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0776884-B1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMA CO LTD (JP) 2000-01-05 EP disclosed
US-5919786-A ANTITUMOR AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
US-5849747-A N, n-disubstituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0856315-A1 MEDICINAL COMPOSITION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 EP disclosed
EP-0805154-A1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
EP-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 EP disclosed
US-5643958-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0776884-A1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-06-04 EP disclosed
US-5616803-A EXHIBIT SQUALENE SYNTHASE-INHIBITORY ACTIVITIES; USEFUL IN TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA, HYPERLIPEMIA AND ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5606101-A INTERMEDIATES FOR SQUALENE SYNTHASE INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-02-25 US disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed
US-5488149-A SQUALENE SYNTHASE INHIBITORS AS ANTICHOLESTEROL OR ANTILIPEMIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0611749-A1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-24 EP disclosed