SCHEMBL194129

SCHEMBL194129

N#CC(O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 2/20 0.40
ACP3 P15309 1/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL29501942 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL31026111 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL194130 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL29397364 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL1628799 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6061496 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6062356 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6061494 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL13937393 0.84 TSHR (0.61) TSHRALDH1A1TRPA1KDM4EMAPT
SCHEMBL136204 0.80 ADRB2 (0.43) TSHRALDH1A1ADRB2ADRB1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 US claimed
CN-118931887-A Nitrilase cross-linked enzyme aggregate, and preparation method and application thereof 浙江工业大学 2024-11-12 CN claimed
CN-118440142-A Connecting peptide, nitrilase fusion protein and application thereof 浙江工业大学 2024-08-06 CN claimed
CN-113754726-B Recombinant enzyme containing polypeptide tag and application thereof in synthesis of medicinal chemicals 浙江工业大学 2024-03-26 CN claimed
CN-113801239-B Polypeptide tag, highly soluble recombinant nitrilase and application thereof in synthesis of medicinal chemicals 浙江工业大学 2023-10-20 CN claimed
WO-2022095221-A1 POLYPEPTIDE TAG, HIGHLY SOLUBLE RECOMBINANT NITRILASE, AND APPLICATION THEREOF IN PHARMACEUTICAL CHEMICAL SYNTHESIS 浙江工业大学 2022-05-12 WO claimed
US-20220135960-A1 POLYPEPTIDE TAG, HIGHLY SOLUBLE RECOMBINANT NITRILASE AND APPLICATION THEREOF IN SYNTHESIS OF PHARMACEUTICAL CHEMICALS ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2022-05-05 US claimed
EP-3875594-A1 PREPARATION METHOD FOR (R)-O-CHLOROMANDELIC ACID AND CYCLIC BIOENZYME CATALYTIC REACTION SYSTEM FOR THE PREPARATION METHOD Wuhan Wuyao Pharmaceutical Co., Ltd. (CN) 2021-09-08 EP claimed
EP-2092060-B1 R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS DSM IP ASSETS BV (NL) 2014-01-22 EP claimed
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US 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
US-20040038419-A1 Assays and kits for detecting the presence of nitriles and/or cyanide DIVERSA CORPORATION 2004-02-26 US claimed
WO-2003098187-A2 ASSAYS AND KITS FOR DETECTING THE PRESENCE OF NITRILES AND/OR CYANIDE DIVERSA CORPORATION (US) 2003-11-27 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
EP-0527553-B1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO LTD (JP) 1997-05-07 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-5296373-A Stereoselective hydrolysis of mandelonitrile in neutral or basic aqueous medium NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-22 US claimed
EP-0527553-A1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-17 EP claimed