SCHEMBL190801

SCHEMBL190801

CCCCCCCC(CC)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
MAPK1 P28482 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.44
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
SMPD1 P17405 3/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
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
SCHEMBL28491401 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL28497772 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL585232 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL1725609 1.00 CA2 (0.56) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27586576 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27649377 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Hydrochloric Acid SCHEMBL27649378 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
Ethane SCHEMBL28789613 0.98 CA2 (0.55) CA2CA1MAPK1ZDHHC7GAA
SCHEMBL3836421 0.98 CA2 (0.58) CA2CA1MAPK1ZDHHC7GAA
Oxalic Acid SCHEMBL28618643 0.95 CA2 (0.51) CA2CA1MAPK1ZDHHC7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720550-A Synthesis method of (S) -3-methyl-4-oxo-2-oxa-8-azaspiro [4.5] decane-8-carboxylic acid tert-butyl ester 深圳市华先医药科技有限公司 2024-03-19 CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 CN claimed
CN-117586257-A Compound containing 2, 8-diazaspiro [4.5] decan-1-one skeleton and application thereof 中国药科大学 2024-02-23 CN claimed
CN-116348463-A Spiro derivatives of alpha-D-galactopyranoside 爱杜西亚药品有限公司 2023-06-27 CN claimed
CN-113121537-B Synthesis method of 2, 8-diazaspiro [4.5] decane-8-tert-butyl formate 南通药明康德医药科技有限公司 2022-11-08 CN claimed
CN-109661396-B Spiro-fused cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2022-07-01 CN claimed
CN-113135921-A Dihydropyrimidine-spiro derivative and preparation method and application thereof 山东大学 2021-07-20 CN claimed
CN-110177776-A Novel modulators of 5-hydroxytryptamine receptor 7 and methods of use thereof 英联邦高等教育系统坦普尔大学 2019-08-27 CN claimed
CN-105764902-B Spiro-compound as tryptophan hydroxylase inhibitor 卡罗斯制药公司 2019-02-15 CN claimed
CN-107873023-A 3-alkyl-4-amido-bicyclo [4, 5, 0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2018-04-03 CN claimed
CN-105764902-A Spirocyclic compounds as tryptophan hydroxylase inhibitors 卡罗斯制药公司 2016-07-13 CN claimed
CN-102942570-A 1-trifluoromethyl-2,8-diazospiro[4.5]decane derivative and preparation method thereof WUHAN APPTEC NEW DRUG DEV CO LTD 2013-02-27 CN claimed
CN-101875658-B Preparation method of 3-carbonyl-2,8-diazepine helix[4.5]decane-8-carboxylic acid tert-butyl ester WUXI APPTEC CO LTD 2013-01-09 CN claimed
EP-2401262-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2012-01-04 EP claimed
CN-101875658-A Preparation method of 3-carbonyl-2,8-diazepine helix[4.5]decane-8-carboxylic acid tert-butyl ester SHANGHAI HEQUAN PHARMACEUTICALS CO LTD 2010-11-03 CN claimed
WO-2010097469-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 WO claimed
EP-1171452-A2 PYRROLIDINCARBOLYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
WO-2000063234-A2 PYRROLIDINCARBONYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
CN-113493441-B Novel spiro compound and application thereof in medicines 广东东阳光药业股份有限公司 2024-07-09 CN disclosed
CN-1206414-A N-acyl-2-substituted-4- (benzimidazolyl-or imidazopyridinyl-substituted residues) piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 CN disclosed