SCHEMBL498027

SCHEMBL498027

CCCCN(CC)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA9 Q16790 3/20 0.61
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP8 P22894 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 1/20 0.43
LMNA P02545 2/20 0.42
MGLL Q99685 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL15746844 0.93 CA12 (0.54) CA12CA1CA9MMP1MMP2
SCHEMBL27625454 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL27279261 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL27951579 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL15250674 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL28245839 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL27470332 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL10581624 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL27390070 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL18760172 0.91 MGLL (0.53) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280443-B1 Improvements in or relating to repellent compositions DALGETY LTD (GB) 1994-04-20 EP claimed
EP-0280443-A2 Improvements in or relating to repellent compositions DALGETY U.K. LIMITED (GB) 1988-08-31 EP claimed
EP-4697957-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2026-02-25 EP disclosed
WO-2024218124-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2024-10-24 WO disclosed
CN-109906215-B Continuous production of 2-methylene alkanals OQ化学有限责任公司 2022-05-06 CN disclosed
EP-3839052-A1 METHOD FOR THE ENZYMATIC PREPARATION OF SUGAR ESTERS AND / OR SUGAR ALCOHOL ESTERS Evonik Operations GmbH (DE) 2021-06-23 EP disclosed
CN-107205387-B Powder formulations comprising insect repellent 默克专利股份有限公司 2020-11-13 CN disclosed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP disclosed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 WO disclosed
CN-103664593-B There is the polyglycerin ester of special polyglycereol oligomer distribution 赢创德固赛有限公司 2017-03-01 CN disclosed
EP-0546409-B1 Method for the preparation of tetrahydropyrancarboxylic esters BASF AG (DE) 1998-10-21 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
US-5306725-A Mixed solvent of glycol-type compound and amide-type compound KATAYAMA CHEMICAL INC. (JP) 1994-04-26 US disclosed
EP-0280443-B1 Improvements in or relating to repellent compositions DALGETY LTD (GB) 1994-04-20 EP disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
CN-1034929-A The preparation method of crystallization beta-lactam solvate LILLY CO ELI (US) 1989-08-23 CN disclosed
EP-0280443-A2 Improvements in or relating to repellent compositions DALGETY U.K. LIMITED (GB) 1988-08-31 EP disclosed