SCHEMBL1200882

SCHEMBL1200882

Cc1ccc(C(O)C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2A6 P11509 1/20 0.42
GAA P10253 1/20 0.41
CHRNA7 P36544 1/20 0.39
ALOX5 P09917 1/20 0.38
ACHE P22303 3/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3991740 1.00 TSHR (0.60) TSHRALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL8019231 0.81 TSHR (0.60) TSHRALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9547873 0.80 CHRNA7 (0.42) TSHRALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL4319988 0.78 ESR1 (0.62) TSHRALDH1A1SMN1; SMN2TDP1ACHE
SCHEMBL467691 0.78 ESR1 (0.62) TSHRALDH1A1SMN1; SMN2TDP1ACHE
SCHEMBL7262475 0.78 ESR1 (0.62) TSHRALDH1A1SMN1; SMN2TDP1ACHE
SCHEMBL2164185 0.76 TSHR (0.60) TSHRCYP2A6ALOX5ESR1ESR2
SCHEMBL13189612 0.76 TSHR (0.48) TSHRALDH1A1GAA
SCHEMBL199580 0.76 TSHR (0.60) TSHRALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL6689869 0.76 TSHR (0.60) TSHRCYP2A6ALOX5ESR1ESR2

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 94 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
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP 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-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
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP 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
US-4234507-A Process for preparing cyanohydrin esters STAUFFER CHEMICAL COMPANY (US) 1980-11-18 US disclosed