SCHEMBL161854

SCHEMBL161854

CC(C)(C)OC(=O)C(C)(C)Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
ELANE P08246 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RECQL P46063 1/20 0.32
APLNR P35414 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14606262 0.82 DGAT1 (0.50) DGAT1ELANENFKB1NFKB2RELA
SCHEMBL11552854 0.82 DGAT1 (0.50) DGAT1ELANENFKB1NFKB2RELA
SCHEMBL1352474 0.78 DGAT1 (0.46) DGAT1ELANESMN1; SMN2NPC1RAB9A
SCHEMBL22962550 0.78 DGAT1 (0.46) DGAT1ELANESMN1; SMN2NPC1RAB9A
SCHEMBL21998578 0.78 DGAT1 (0.31) DGAT1
SCHEMBL21058313 0.78 DGAT1 (0.46) DGAT1ELANESMN1; SMN2NPC1RAB9A
SCHEMBL544759 0.78 DGAT1 (0.46) DGAT1ELANESMN1; SMN2NPC1RAB9A
SCHEMBL5326515 0.76 DGAT1 (0.44) DGAT1ELANENFKB1NFKB2RELA
SCHEMBL14879747 0.76 PPARA (0.36) DGAT1MAPTALDH1A1MEN1KMT2A
SCHEMBL28407106 0.76 DGAT1 (0.44) DGAT1ELANENPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037073-A Hyperbranched structure grafting-based shrinkage reducing agent for UHPC and preparation method thereof 福建农林大学 2026-05-15 CN claimed
CN-119302871-A Nanometer composition with acne removing effect, and preparation method and application thereof 广东粤港澳大湾区黄埔材料研究院 2025-01-14 CN claimed
CN-115959993-B Synthesis method of 2-aryl propionic acid compound 山东中医药大学 2025-01-07 CN claimed
CN-116332887-B Synthesis method and application of orange ketone derivatives with nonalcoholic steatohepatitis resistance 天津科技大学 2024-08-13 CN claimed
CN-116102677-B Temperature-resistant acid thickener, and preparation method and application thereof 山东滨州昱诚化工科技有限公司 2024-04-26 CN claimed
CN-117886748-A Quinoline amino acid conjugate and preparation method and application thereof 天津科技大学 2024-04-16 CN claimed
CN-117138606-A Active free radical polymerized modified cellulose ethanol solution separation membrane and preparation method and application thereof 国科广化精细化工孵化器(南雄)有限公司 2023-12-01 CN claimed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO claimed
CN-116332887-A Synthesis method and application of orange ketone derivatives with nonalcoholic steatohepatitis resistance 天津科技大学 2023-06-27 CN claimed
CN-116102677-A Temperature-resistant acid thickener, and preparation method and application thereof 山东滨州昱诚化工科技有限公司 2023-05-12 CN claimed
CN-112266500-B Marking powder, preparation method and application thereof, high-rigidity PC alloy suitable for laser marking and preparation method thereof 万华化学(四川)有限公司 2022-03-11 CN claimed
CN-110790721-B Synthetic method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2021-10-22 CN claimed
CN-113185469-A Method for modifying photoregulated diaryl dihydrophenazine 南京先进生物材料与过程装备研究院有限公司 2021-07-30 CN claimed
CN-108576835-B Juicing device used in fruit and vegetable processing and working method thereof 徐州工程学院 2021-03-19 CN claimed
CN-111909482-A Modified high-temperature-resistant polypropylene material and preparation method thereof 卞培培 2020-11-10 CN claimed
CN-110790721-A Synthetic method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2020-02-14 CN claimed
US-20180318178-A1 DENTAL COMPOSITES WITH IMPROVED STORAGE STABILITY IVOCLAR VIVADENT AG (LI) 2018-11-08 US claimed
EP-3042645-A1 Dental composites with improved storage stability Ivoclar Vivadent AG (LI) 2016-07-13 EP claimed
WO-2010007408-A2 INTERMEDIATES 2-(2-CHLORO-5-HYDROXY-4-METHYLCARBAMOYLPHENOXY)-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER AND GLYCIDYL BENZENE SULFONATES OR SALTS THEREOF AND THE PROCESS FOR PREPARATION OF SAID INTERMEDIATES ASTRAZENECA AB (SE) 2010-01-21 WO claimed
US-6214997-B1 REACTING ETHYL 2-(2-AMINOTHIAZOL-4-YL)-2-HYDROXYIMINOACETATE WITH T-BUTYL 2-BROMOISOBUTYRATE, CONVERTING THE ETHYL ESTER TO THE FREE ACID AND TRITYLATING, AND PRECIPITATING WITH N,N-DIMETHYLFORMAMIDE; INTERMEDIATE TO CEFTAZIDIME RANBAXY LABORATORIES LIMITED (IN) 2001-04-10 US claimed