SCHEMBL161152

SCHEMBL161152

CC(C#N)CCC(=O)O.S=C(S)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CPA3 P15088 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
Thiobenzoic Acid SCHEMBL2354925 0.88 NR4A2 (0.40) NR4A2GAAALDH1A1CYP2C19CYP1A2
Thiobenzoic Acid SCHEMBL161151 0.88 CA12 (0.48) NR4A2GAAALDH1A1CYP2C19CYP1A2
Thiobenzoic Acid SCHEMBL28164247 0.88 NR4A2 (0.40) NR4A2GAAALDH1A1CYP2C19CYP1A2
SCHEMBL2370359 0.88 MEN1 (0.39) GAAALDH1A1CA1CA2
SCHEMBL4229223 0.84 NR4A2 (0.37) NR4A2GAAALDH1A1CYP2C19CYP1A2
SCHEMBL28434636 0.83 GAA (0.39) NR4A2GAAALDH1A1CYP2C19CYP1A2
Benzoyl Peroxide SCHEMBL28131759 0.82 LMNA (0.52) NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL28102756 0.82 NR4A2 (0.37) NR4A2GAAALDH1A1CYP2C19CYP1A2
Thiobenzoic Acid SCHEMBL2370364 0.81 KMT2A (0.39) ALDH1A1LMNACA1CA2
SCHEMBL30114902 0.81 ALDH1A1 (0.40) NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923422-A Amphiphilic ion copolymer, copolymer micelle drug delivery system and preparation method thereof 安徽医科大学第一附属医院 2025-05-02 CN claimed
CN-114920892-B Magnetic heterocyclic amine molecularly imprinted composite material and preparation method and application thereof 中国烟草总公司郑州烟草研究院 2025-03-28 CN claimed
CN-118490639-A Crosslinked glutathione-responsive polymer vesicles, and preparation method and application thereof 徐州医科大学 2024-08-16 CN claimed
CN-118336090-A Composite electrolyte membrane, preparation method and battery 蜂巢能源科技股份有限公司 2024-07-12 CN claimed
CN-116162290-B Porous microcarrier, preparation method and application thereof 深圳丹伦基因科技有限公司 2024-05-28 CN claimed
US-11963997-B2 Anti-tumor polypeptide Bax-BH3, fluorescent polymeric nanomicelle, preparation method and use thereof JILIN UNIVERSITY (CN) 2024-04-23 US claimed
US-11958919-B2 “Living” radical polymerization method for vinyl monomer by near-infrared photothermal conversion SOOCHOW UNIVERSITY (CN) 2024-04-16 US claimed
CN-117820527-A Single-chain internal ring-formed zwitterionic polymer and preparation method and application thereof 西安交通大学 2024-04-05 CN claimed
CN-117327318-A Ethylene propylene diene monomer rubber-fluororubber sealing element and preparation method thereof 湖北派克密封件有限公司 2024-01-02 CN claimed
CN-115286967-B Water-based acrylate binder, water-based matte gloss oil and preparation method thereof 江苏景宏新材料科技有限公司 2023-11-21 CN claimed
EP-1781711-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS University of Dortmund Infu (DE) 2007-05-09 EP claimed
EP-1383828-A4 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION BIO LAYER PTY LTD (AU) 2006-10-04 EP claimed
WO-2006082158-A1 STABLE PIGMENT DISPERSIONS COMPRISING A BLOCK COPOLYMER CONSISTING OF IONIC AROMATIC MONOMERS AGFA GRAPHICS NV (BE) 2006-08-10 WO claimed
WO-2006082159-A1 STABLE PIGMENT DISPERSIONS COMPRISING A BLOCK COPOLYMER CONSISTING OF IONIC AROMATIC MONOMERS AGFA GRAPHICS NV (BE) 2006-08-10 WO claimed
WO-2006082160-A1 A PIGMENT DISPERSION COMPRISING A COPOLYMER COMPRISING AN IONIC AROMATIC MONOMER AGFA GRAPHICS NV (BE) 2006-08-10 WO claimed
WO-2006004536-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS UNIVERSITY OF DORTMUND INFU (DE) 2006-01-12 WO claimed
US-6858309-B2 Methods of polymerization POLYMERAT PTY. LTD. (AU) 2005-02-22 US claimed
EP-1383828-A1 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION Polymerat Pty Ltd (AU) 2004-01-28 EP claimed
US-20030088028-A1 Methods of polymerization ANTEO TECHNOLOGIES PTY LTD (AU) 2003-05-08 US claimed
WO-2002079305-A1 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION POLYMERAT PTY LTD (AU) 2002-10-10 WO claimed