SCHEMBL197981

SCHEMBL197981

N#CC(O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.39
MAPT P10636 1/20 0.39
AOC3 Q16853 1/20 0.38
CYP2A6 P11509 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL6688835 1.00 TSHR (0.60) TSHRALDH1A1L3MBTL1MAPK1HIF1A
SCHEMBL4328254 1.00 TSHR (0.60) TSHRALDH1A1L3MBTL1MAPK1HIF1A
SCHEMBL28020204 0.85 HSD17B10 (0.55) TSHRALDH1A1L3MBTL1BRD4GPX4
SCHEMBL8019231 0.81 TSHR (0.60) TSHRALDH1A1MAPK1HIF1ALMNA
SCHEMBL7262475 0.78 ESR1 (0.62) TSHRALDH1A1HIF1ATDP1ESR1
SCHEMBL4319988 0.78 ESR1 (0.62) TSHRALDH1A1HIF1ATDP1ESR1
SCHEMBL467691 0.78 ESR1 (0.62) TSHRALDH1A1HIF1ATDP1ESR1
SCHEMBL199580 0.76 TSHR (0.60) TSHRALDH1A1TDP1LMNAHPGD
SCHEMBL6908022 0.76 TSHR (0.60) TSHRALDH1A1TDP1LMNAHPGD
SCHEMBL8020863 0.76 TSHR (0.60) TSHRALDH1A1MAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US claimed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP claimed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 US claimed
CN-1268755-C Process for preparing optical active cyanalcohol through enzyme catalysis alcoholysis reaction resolution UNIV ZHEJIANG (CN) 2006-08-09 CN claimed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP claimed
CN-1635129-A Process for preparing optical active cyanalcohol through enzyme catalysis alcoholysis reaction resolution UNIV ZHEJIANG (CN) 2005-07-06 CN claimed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO claimed
EP-0610048-B1 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group MITSUBISHI RAYON CO (JP) 1999-09-22 EP claimed
US-5580765-A A CULTURE PRODUCT OF A-HYDROXYNITRILE OR A MIXTURE OF ALDEHYDE AND PRUSSIC ACID NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-03 US claimed
EP-0610048-A2 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP claimed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
EP-2403842-B1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2016-06-29 EP disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-5580765-A A CULTURE PRODUCT OF A-HYDROXYNITRILE OR A MIXTURE OF ALDEHYDE AND PRUSSIC ACID NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-03 US disclosed
EP-0711836-A1 Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-15 EP disclosed
EP-0610048-A2 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP disclosed
US-4511562-A (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents BAYER AKTIENGESELLSCHAFT (DE) 1985-04-16 US disclosed
EP-0072482-A2 (Thiono)(dithio)-phosphoric-(phosphonic)-acid esters, process for their preparation and their use as pesticides BAYER AG (DE) 1983-02-23 EP disclosed