SCHEMBL28428

SCHEMBL28428

O=C(O)C(I)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL22863330 1.00 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
Ammonia Solution, Strong SCHEMBL21641696 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL21641683 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28945269 0.97 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
Acetic Acid SCHEMBL18187576 0.93 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2
Ethylene Glycol SCHEMBL23362076 0.91 SRC (0.48) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11849680 0.86 PTGS2 (0.59) SRCCYP2D6LMNACYP1A2CYP2C19
SCHEMBL11775055 0.84 SRC (0.50) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL22863240 0.80 SRC (0.50) SRCCYP2D6LMNACES2TDP1
SCHEMBL7526961 0.80 SRC (0.46) SRCCYP2D6LMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240309124-A1 A COMPOSITION AND ITS APPLICATION IN CONTROLLED LIVING WATER-BASED EMULSION POLYMERIZATION BASF SE (DE) 2024-09-19 US claimed
EP-4377288-A1 A COMPOSITION AND ITS APPLICATION IN CONTROLLED LIVING WATER-BASED EMULSION POLYMERIZATION BASF SE (DE) 2024-06-05 EP claimed
EP-4377289-A1 PROCESS OF PREPARING BLOCK OR GRADIENT COPOLYMERS AND THE COPOLYMER PREPARED THEREOF BASF SE (DE) 2024-06-05 EP claimed
CN-117751098-A Method for preparing block or gradient copolymer and copolymer prepared by same 巴斯夫欧洲公司 2024-03-22 CN claimed
CN-117715885-A Composition and its use in controlled activity water-based emulsion polymerization 巴斯夫欧洲公司 2024-03-15 CN claimed
WO-2023197384-A1 CANNABINOL PREPARATION METHOD IN COPPER-CATALYZED ONE-POT PROCESS 上海锐康生物技术研发有限公司 2023-10-19 WO claimed
WO-2023137518-A1 PLATINUM COMPLEXES Western Sydney University (AU) 2023-07-27 WO claimed
CN-114805798-B Heterogeneous catalyst for visible light induced controllable free radical polymerization 福州大学 2023-06-09 CN claimed
WO-2023005568-A1 PROCESS OF PREPARING BLOCK OR GRADIENT COPOLYMERS AND THE COPOLYMER PREPARED THEREOF BASF SE (DE) 2023-02-02 WO claimed
WO-2023005567-A1 A COMPOSITION AND ITS APPLICATION IN CONTROLLED LIVING WATER-BASED EMULSION POLYMERIZATION BASF SE (DE) 2023-02-02 WO claimed
CN-112979742-A 3 alpha, 20, 20-trihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2021-06-18 CN claimed
CN-112961207-A 3 alpha-acetoxyl group-20, 20-dihydroxy-5 alpha-pregna-18-carboxylic acid-gamma-lactone and preparation method thereof 泰州职业技术学院 2021-06-15 CN claimed
CN-112940069-A 5 alpha-pregna-18, 20 beta-oxidized-3 alpha-alcohol and preparation method thereof 泰州职业技术学院 2021-06-11 CN claimed
CN-108505214-B Preparation method of nanofiber membrane for detecting content of ethyl carbamate 南京宁高晶测生物科技有限公司 2020-10-02 CN claimed
CN-109761868-B Synthesis method of optically pure chlorprostenol 厦门欧瑞捷生物科技有限公司 2020-04-17 CN claimed
CN-108505214-A A kind of preparation method for detecting the nano fibrous membrane of ethyl carbamate content 南京宁高晶测生物科技有限公司 2018-09-07 CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed