SCHEMBL8437306

SCHEMBL8437306

CC(C)(C)OC(=O)C[C@@H](O)CCl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 1/20 0.31
FAAH O00519 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6156168 1.00 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3375896 0.90 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31165203 0.90 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16320670 0.90 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260626 0.90 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16320897 0.90 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6154559 0.87 CYP2D6 (0.50) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1135909 0.85 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3439226 0.85 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29223109 0.85 CYP2D6 (0.41) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288994-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS Chisso Corporation (JP) 1992-07-22 EP claimed
EP-0208662-B1 PROCESS FOR MANUFACTURING R(-)-NORCARNITINE TERT-BUTYL ESTER Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-12-14 EP claimed
EP-0288994-A2 Process for producing optically active compounds Chisso Corporation (JP) 1988-11-02 EP claimed
CN-111172124-B Carbonyl reductase mutant and preparation thereofR) Application of (E) -4-chloro-3-hydroxy-butyrate 复旦大学 2022-07-22 CN disclosed
US-10961515-B1 Carbonyl reductase variant and its use in preparation of (R)-4-chloro-3-hydroxybutyrate FUDAN UNIVERSITY (CN) 2021-03-30 US disclosed
CN-111172124-A Carbonyl reductase mutant and application thereof in preparation of (R) -4-chloro-3-hydroxy-butyrate 复旦大学 2020-05-19 CN disclosed
EP-0606899-B1 Processes for production of optically active 4-halo-3-hydroxybutyric acid esters DAICEL CHEM (JP) 1999-12-15 EP disclosed
EP-0288994-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS Chisso Corporation (JP) 1992-07-22 EP disclosed
US-4962031-A SPECIFIC COMPOUNDS HAVING HYDROXYL GROUPS REACTED WITH ESTERS IN PRESENCE OF HYDROLASES CHISSO CORPORATION (JP) 1990-10-09 US disclosed
US-4902604-A CATIONIC AZULENE DERIVATIVE; PRINTING PLATES, RESISTS FUJI PHOTO FILM CO., LTD. (JP) 1990-02-20 US disclosed
EP-0208662-B1 PROCESS FOR MANUFACTURING R(-)-NORCARNITINE TERT-BUTYL ESTER Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1988-12-14 EP disclosed
EP-0288994-A2 Process for producing optically active compounds Chisso Corporation (JP) 1988-11-02 EP disclosed
US-4710468-A FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) 1987-12-01 US disclosed
EP-0208662-A1 Process for manufacturing r(-)-norcarnitine tert-butyl ester Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1987-01-14 EP disclosed