SCHEMBL1070686

SCHEMBL1070686

CCCC(=O)ONC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CTSD P07339 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR3 O14843 3/20 0.35
TSHR P16473 3/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL3698354 0.87 CES1 (0.41) ALDH1A1CES2CES1TSHRSPHK2
SCHEMBL1071160 0.85 TSHR (0.41) TSHRLMNAKDM4E
SCHEMBL2020030 0.85 DGKA (0.48) CES2CES1TSHRSPHK2SPHK1
SCHEMBL3804877 0.84 ALDH1A1 (0.50) ALDH1A1CTSDCES2CES1HDAC3
SCHEMBL8957558 0.84 SPHK2 (0.52) ALDH1A1CES2CES1TSHRSPHK2
SCHEMBL8957562 0.84 SPHK2 (0.52) ALDH1A1CES2CES1TSHRSPHK2
SCHEMBL2906934 0.84 SPHK2 (0.52) ALDH1A1CES2CES1TSHRSPHK2
Hydrochloric Acid SCHEMBL11572218 0.84 DGKA (0.47) CES2CES1TSHRSPHK2SPHK1
SCHEMBL8957576 0.84 SPHK2 (0.52) ALDH1A1CES2CES1TSHRSPHK2
SCHEMBL10885536 0.84 SPHK2 (0.52) ALDH1A1CES2CES1TSHRSPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278309-B2 Synthetic mimetics of host defense and uses thereof POLYMEDIX, INC. (US) 2012-10-02 US claimed
EP-2358380-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF Polymedix, Inc. (US) 2011-08-24 EP claimed
WO-2010062573-A1 SYNTHETIC MIMETICS OF HOST DEFENSE AND USES THEREOF POLYMEDIX, INC. (US) 2010-06-03 WO claimed
US-12491493-B1 Amine appended bimetallic metal-organic framework (MOF-74) for carbon dioxide capture and method of preparation thereof KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-12-09 US disclosed
CN-119770470-A Application of 4-GBA in preparation of medicines for improving infection tolerance of sepsis patients 海南医学院第二附属医院 2025-04-08 CN disclosed
CN-118139636-A Delivery of promoted concentrated antibody formulations using hyaluronidase 武田药品工业株式会社 2024-06-04 CN disclosed
CN-111621267-B Environment-friendly hyperbranched poly-guano acid shale intercalation inhibitor 西南石油大学 2022-04-01 CN disclosed
CN-112029769-B Construction method of Cyp1a1 gene knockout mouse model and application of model in sepsis 中国人民解放军陆军特色医学中心 2022-03-22 CN disclosed
CN-112920065-A Benzil compound and preparation method and application thereof 上海中医药大学 2021-06-08 CN disclosed
CN-112029769-A Construction method of Cyp1a1 gene knockout mouse model and application of model in sepsis 中国人民解放军陆军特色医学中心 2020-12-04 CN disclosed
CN-111621267-A Environment-friendly hyperbranched poly-guano acid shale intercalation inhibitor 西南石油大学 2020-09-04 CN disclosed
EP-1867672-A1 EPOXY RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2007-12-19 EP disclosed
CN-101062907-A Agmatine derivative and medicament usage thereof POISON MED INST PLA MED ACAD (CN) 2007-10-31 CN disclosed
CN-1834085-A Trilerium and trilerium marked agmatine and application in biochemistry and medicine research INST OF TOXIC & MEDICINES A M (CN) 2006-09-20 CN disclosed
EP-1140958-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 2001-10-10 EP disclosed
WO-2000039139-A1 ANTI-(RETRO)VIRAL CONJUGATES OF SACCHARIDES AND ACETAMIDINO OR GUANIDINO COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-07-06 WO disclosed
US-5583020-A IONIZATION; DRUG DELIVERY RIBOZYME PHARMACEUTICALS, INC. (US) 1996-12-10 US disclosed
EP-0669926-A1 PERMEABILITY ENHANCERS FOR IONIC THERAPEUTIC POLYMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1995-09-06 EP disclosed
WO-1994012516-A9 PERMEABILITY ENHANCERS FOR IONIC THERAPEUTIC POLYMERS 1994-08-04 WO disclosed
WO-1994012516-A1 PERMEABILITY ENHANCERS FOR IONIC THERAPEUTIC POLYMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1994-06-09 WO disclosed