SCHEMBL28078086

SCHEMBL28078086

C=C(C)C(=O)N(C)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
HSP90AA1 P07900 1/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
ESR2 Q92731 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 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
SCHEMBL28220405 0.81 ALDH1A1 (0.50) MAPTALDH1A1HTTHSP90AA1PDK1
SCHEMBL15442018 0.81 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL2537515 0.81 ALDH1A1 (0.71) MAPTALDH1A1HTTHSP90AA1PDK1
SCHEMBL28148839 0.80 HSD17B2 (0.56) MTNR1AMTNR1B
SCHEMBL28865681 0.80 EPHX2 (0.42) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL24106352 0.79 ALDH1A1 (0.50) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL7823913 0.79 ALDH1A1 (0.55) MAPTALDH1A1HTTHSP90AA1PDK1
SCHEMBL4889215 0.79 APP (0.38) MAPTALDH1A1HSP90AA1PDK1PDK2
SCHEMBL12534115 0.79 HSP90AA1 (0.58) MAPTALDH1A1HTTHSP90AA1PDK1
SCHEMBL28948525 0.78 TRPM8 (0.52) MAPTNPC1RAB9AKMT2ACES2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119372671-A Method for synthesizing amino acid compound by participation of carbon dioxide 新疆大学 2025-01-28 CN disclosed
CN-118978472-A Preparation method of indolone compound connected with gamma-ketosulfone structure 安阳师范学院 2024-11-19 CN disclosed
CN-118255706-A Synthesis method of oxindole compound 浙江工业大学 2024-06-28 CN disclosed
CN-115094449-B Method for synthesizing and marking halogenated indolone by using freon-type methane as carbon-synthesis son and application thereof 上海交通大学 2024-02-23 CN disclosed
CN-113773277-B Synthesis method of 4H-1,2, 4-benzothiadiazine-1, 1-dioxide derivative 兰州大学 2023-12-05 CN disclosed
CN-115094449-A Method for synthesizing and marking halogenated indolone by using freon type methane as carbon-carbon synthesizer and application thereof 上海交通大学 2022-09-23 CN disclosed
CN-113214273-B Synthesis method of tetrahydrofuran indole compound 台州学院 2022-06-17 CN disclosed
CN-113214273-A Synthesis method of tetrahydrofuran indole compound 台州学院 2021-08-06 CN disclosed
CN-106749214-B Compound containing 1, 3-benzoxazole difluoromethylene indolone and preparation method thereof 上海大学 2020-01-17 CN disclosed
CN-108752258-A Nickel is catalyzed Synthesis of Indole ketones derivant 南开大学 2018-11-06 CN disclosed
CN-106048648-B The electrochemical catalysis synthetic method of the oxindole class compound of 3- sulfonic groups substitution 北京工业大学 2018-05-25 CN disclosed
CN-106048648-A Electrochemical catalysis synthesis method of 3-sulfonyl substituted oxo indoles compound 北京工业大学 2016-10-26 CN disclosed