SCHEMBL97405

SCHEMBL97405

CCC(Br)C(=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
FFAR3 O14843 2/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
KMT2A Q03164 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
USP2 O75604 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
SCHEMBL970304 0.81 LCK (0.42) LDHASRRFFAR3LCKPPARD
SCHEMBL935296 0.78 MGAM (0.44) ALDH1A1TSHRKMT2AZDHHC7RECQL
SCHEMBL15823996 0.78 LMNA (0.43) FFAR3PPARDALDH1A1TSHRKMT2A
SCHEMBL4467943 0.75 GAA (0.58) ALDH1A1KMT2AZDHHC7
SCHEMBL26941934 0.74
SCHEMBL1435946 0.74
SCHEMBL2021291 0.74 USP2 (0.44) LDHASRRFFAR3TSHRKMT2A
SCHEMBL15537177 0.74
SCHEMBL6266183 0.73 LCK (0.48) LDHASRRLCKPPARDZDHHC20
SCHEMBL1730691 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158406-B2 reduction of keto compounds, in particular of 4-halo-3-oxobutyric acid esters, to the corresponding R-alcohols or S-4-halo-3-hydroxybutyric acid esters, respectively, using an R-specific oxidoreductase in the presence of a cofactor such as NAD(P)H IEP GMBH (DE) 2012-04-17 US claimed
EP-1926821-B1 Method of enantioselective enzymatic reduction of keto compounds IEP GMBH (DE) 2011-04-20 EP claimed
EP-1851322-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2009-10-21 EP claimed
US-20080233619-A1 Process For the Enantioselective Enzymatic Reduction of Keto Compounds IEP GMBH (DE) 2008-09-25 US claimed
US-20080153140-A1 Method for the Enantioselective Enzymatic Reduction of Keto Compounds IEP GMBH (DE) 2008-06-26 US claimed
EP-1926821-A1 METHOD OF ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GmbH (DE) 2008-06-04 EP claimed
EP-1851322-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GmbH (DE) 2007-11-07 EP claimed
WO-2007036257-A1 METHOD OF ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2007-04-05 WO claimed
WO-2006087235-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS IEP GMBH (DE) 2006-08-24 WO claimed
US-7056540-B2 Enzymatic process for the preparation of optically active alcohols from ketones using tuberous root Daucus carota COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-06-06 US claimed
US-20040082043-A1 Enzymatic process for the preparation of optically active alcohols from ketones using tuberous root daucus carota COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-04-29 US claimed
EP-0902016-B1 A process and intermediate compounds for the preparation of amlodipine benzene sulphonate EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2002-05-02 EP claimed
US-6046337-A Process for the preparation of a dihydropyridine derivative EGIS GYOGYSZERGYAR RT. (HU) 2000-04-04 US claimed
EP-0902016-A1 A process and intermediate compounds for the preparation of amlodipine benzene sulphonate EGIS GYOGYSZERGYAR (HU) 1999-03-17 EP claimed
EP-0902016-A2 A process and intermediate compounds for the preparation of amlodipine benzene sulphonate EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP claimed
EP-2858999-B1 AMIDES OF 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AND THEIR SALTS GLENMARK PHARMACEUTICALS SA (CH) 2017-05-10 EP disclosed
EP-2403953-B1 METHOD FOR STEREOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2017-05-10 EP disclosed
US-4421912-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-12-20 US disclosed
US-4379924-A Cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-04-12 US disclosed
US-4080498-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-03-21 US disclosed