SCHEMBL979427

SCHEMBL979427

C=C(NC(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.46
CES2 O00748 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 3/20 0.45
NAPRT Q6XQN6 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44

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
SCHEMBL7733325 0.88 MAPT (0.57) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL27773578 0.88 ALDH1A1 (0.52) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL31396677 0.86 TSHR (0.41) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL19435693 0.83 MAPT (0.45) ALDH1A1GAAL3MBTL1MAPTMEN1
SCHEMBL26230440 0.82 MAOA (0.41) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL10705625 0.82 CA12 (0.48) CES1CES2ALDH1A1KDM4EGAA
SCHEMBL7733506 0.81 ALDH1A1 (0.48) CES1CES2ALDH1A1GAAMAPT
SCHEMBL19724896 0.81 CA1 (0.47) ALDH1A1KDM4ETSHRHSD17B10CA12
SCHEMBL6551314 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EGAAEPHX1HSD17B10
SCHEMBL6294231 0.79 EPHX1 (0.49) CES1CES2ALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120157621-A Method for synthesizing acetamide compound through visible light induced defluorination coupling 南京工业大学 2025-06-17 CN claimed
CN-110156668-B Method for synthesizing 4-polyfluoroalkyl-2, 6-diaryl substituted pyridine compound 福州大学 2022-04-26 CN claimed
CN-111747904-A Polyfluoroalkenyl substituted oxazole compound and preparation method thereof 南京工业大学 2020-10-09 CN claimed
CN-120157621-A Method for synthesizing acetamide compound through visible light induced defluorination coupling 南京工业大学 2025-06-17 CN disclosed
CN-119504825-A Enamide derivative containing N- (2Z, 4E) diene silicon-based skeleton and preparation method thereof 江西理工大学 2025-02-25 CN disclosed
CN-118995869-A Method for preparing (R) -N-acetyl-alpha-arylethylamine derivative by photocatalytic asymmetric reduction 南京大学 2024-11-22 CN disclosed
CN-117987483-A Method for preparing chiral-alpha-benzylamine and derivatives thereof by photocatalytic asymmetric reduction 南京大学 2024-05-07 CN disclosed
CN-115536605-B Preparation method and application of polysubstituted oxazole compound with participation of boron reagent 广东工业大学 2023-12-15 CN disclosed
CN-113373466-B Electrochemical synthesis method of beta-acetaminocarbonyl compound 安徽科技学院 2023-07-21 CN disclosed
CN-112824423-B Chiral ferrocenylphosphine-indolylaminophosphine ligand and preparation method and application thereof 中国科学院大连化学物理研究所(CN) 2023-01-13 CN disclosed
CN-112824422-B Chiral ferrocene-indole diphosphine ligand as well as preparation method and application thereof 中国科学院大连化学物理研究所(CN) 2023-01-13 CN disclosed
US-6525210-B1 Binaphthyl phospholanes, chelating phosphines and ferrocene complexes thereof THE PENN STATE RESEARCH FOUNDATION 2003-02-25 US disclosed
EP-1228034-A2 CHIRAL PHOSPHINES, TRANSITION METAL COMPLEXES THEREOF AND USES THEREOF IN ASYMMETRIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2002-08-07 EP disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
EP-1109819-A1 FERROCENE-BASED DIPHOSPHONITES FOR ASYMMETRICAL CATALYSIS Studiengesellschaft Kohle mbH (DE) 2001-06-27 EP disclosed
WO-2001034612-A2 CHIRAL PHOSPHINES, TRANSITION METAL COMPLEXES THEREOF AND USES THEREOF IN ASYMMETRIC REACTIONS THE PENN STATE RESEARCH FOUNDATION (US) 2001-05-17 WO disclosed
WO-2000014096-A1 FERROCENE-BASED DIPHOSPHONITES FOR ASYMMETRICAL CATALYSIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2000-03-16 WO disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed
US-5952527-A A COMPLEX OF TRANSITIONAL METAL COMPOUND, CYCLOOCTADIENE OR CYCLOPENTADIENE AND 2,2-BIS/DIPHENYLPHOSPHINOAMINO/-5,5',6,6'7,7',8,8'-OCTAHYDRO-1 ,1'-BINAPHTHYL COMPOUND; USED AS HYDROGENATION CATALYST THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-09-14 US disclosed
US-5919981-A USING HYDROGENATION 1,1*-BINAPHTHYL-2,2*-DIAMINE AS CHEMICAL INTERMEDIATE THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-07-06 US disclosed