SCHEMBL198107

SCHEMBL198107

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
OR51E2 Q9H255 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
SCHEMBL197703 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL395419 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL392365 1.00 TDP1 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6239351 0.84 CHRM1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6240565 0.81 CA2 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3837519 0.77 TDP1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL687714 0.77 TDP1 (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6234803 0.75 CTSS (0.34)
SCHEMBL16667373 0.74 TP53 (0.38) OR51E2
SCHEMBL1406003 0.74 TP53 (0.38) 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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US claimed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US claimed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP claimed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP claimed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US claimed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP claimed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP claimed
US-20130177949-A1 NITRILASES VERENIUM CORPORATION (US) 2013-07-11 US claimed
US-20130130333-A1 Processes for Making (R)-Ethyl 4-Cyano-3 Hydroxybutyric Acid VERENIUM CORPORATION (US) 2013-05-23 US claimed
US-8372608-B2 Processes for making [R]-ethyl 4-cyano-3 hydroxybutyric acid VERENIUM CORPORATION (US) 2013-02-12 US claimed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP claimed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP claimed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP claimed
US-7932064-B2 Converting epichlorohydrin to 3-hydroxyglutaronitrile, catalyzing the conversion of the 3-hydroxyglutaronitrile to 4-cyano-3-hydroxybutyric acid by contacting with polypeptide having a nitrilase activity; intermediate for atorvastatin VERENIUM CORPORATION (US) 2011-04-26 US claimed
US-7811804-B2 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-10-12 US claimed
US-20100216214-A1 hydrolysis of a hydroxyglutaryl nitrile to generate an ethyl 4-cyano-3-hydroxybutyrate; hydrolysis of a mandelonitrile to generate a mandelic acid; hydrolysis of phenyllactocyanonitrile to generate an (S)-phenyllactic acid VERENIUM CORPORATION (US) 2010-08-26 US claimed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US claimed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP claimed
US-20040053378-A1 Processes for making (R)-ethyl 4-cyano-3-hydroxybutyric acid DIVERSA CORPORATION (US) 2004-03-18 US claimed
WO-2003106415-A2 PROCESSES FOR MAKING (R)-ETHYL 4-CYANO-3-HYDROXYBUTYRIC ACID DIVERSA CORPORATION (US) 2003-12-24 WO claimed