SCHEMBL1406003

SCHEMBL1406003

CC(C(=O)O)C(O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
OR51E2 Q9H255 1/20 0.33
DPP4 P27487 1/20 0.33
SLC1A2 P43004 3/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A1 P43005 2/20 0.31
TSHR P16473 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
SCHEMBL16667373 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL1406004 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL16667376 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL199977 1.00 TP53 (0.38) TP53OR51E2DPP4SLC1A2SLC1A3
SCHEMBL6234993 0.78 TP53 (0.35) TP53OR51E2DPP4
SCHEMBL2437498 0.75
SCHEMBL6239351 0.75 CHRM1 (0.40) SLC1A2SLC1A3SLC1A1TSHR
SCHEMBL395419 0.74 TDP1 (0.33) OR51E2
SCHEMBL392365 0.74 TDP1 (0.33) OR51E2
SCHEMBL197703 0.74 TDP1 (0.33) OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102181493-B Preparation method of intermediate of rosuvastatin calcium side chain JIANGSU ALPHA PHARMACEUTICAL CO LTD 2015-06-10 CN claimed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP claimed
CN-103361386-B Method for preparing rosuvastatin intermediate ENZYMEWORKS INC 2015-04-15 CN claimed
CN-103361386-A Method for preparing rosuvastatin intermediate SUZHOU ENZYMEWORKS INC 2013-10-23 CN claimed
CN-102181493-A Preparation method of intermediate of rosuvastatin calcium side chain JIANGSU ALPHA PHARMACEUTICAL CO LTD 2011-09-14 CN claimed
CN-102168117-A Method for preparing ethyl (R)-4-cyano-3-hydroxybutyate JIANGSU ALPHA PHARMACEUTICAL CO LTD 2011-08-31 CN claimed
CN-105385714-A Method for preparing rosuvastatin intermediate through biological enzyme with chemical method SYNCOZYMES (SHANGHAI) CO LTD 2016-03-09 CN disclosed
CN-102181493-B Preparation method of intermediate of rosuvastatin calcium side chain JIANGSU ALPHA PHARMACEUTICAL CO LTD 2015-06-10 CN disclosed
CN-103361386-B Method for preparing rosuvastatin intermediate ENZYMEWORKS INC 2015-04-15 CN disclosed
CN-103420870-A Preparation method for chiral 4-cyano-3-hydroxybutyrate SUZHOU OST ADVANCED MATERIALS CO LTD 2013-12-04 CN disclosed
CN-103361386-A Method for preparing rosuvastatin intermediate SUZHOU ENZYMEWORKS INC 2013-10-23 CN disclosed
CN-102181493-A Preparation method of intermediate of rosuvastatin calcium side chain JIANGSU ALPHA PHARMACEUTICAL CO LTD 2011-09-14 CN disclosed
EP-1537222-B1 ENZYMATIC PROCESSES FOR THE PRODUCTION OF 4-SUBSTITUTED 3-HYDROXYBUTYRIC ACID DERIVATIVES CODEXIS INC (US) 2011-03-09 EP disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
WO-2005005375-A1 METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2005-01-20 WO disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed