SCHEMBL3682929

SCHEMBL3682929

CCCCCC(CC)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.62
CA1 P00915 5/20 0.62
MAPK1 P28482 1/20 0.52
CPB2 Q96IY4 2/20 0.51
ZDHHC7 Q9NXF8 1/20 0.44
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL12860221 1.00 CA2 (0.62) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL12860453 1.00 CA2 (0.62) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL6518229 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL5049747 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
Hydrochloric Acid SCHEMBL28630937 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL25279786 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL3671861 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL3682871 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL5046728 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL2334605 0.98 CA2 (0.60) CA2CA1MAPK1CPB2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 CN claimed
CN-110944992-B Pharmaceutical compounds 赫普泰雅治疗有限公司 2023-05-16 CN claimed
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN claimed
CN-110903306-B Muscarinic receptor agonists 赫普泰雅治疗有限公司 2022-09-23 CN claimed
CN-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 CN claimed
CN-109851610-B Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2021-09-21 CN claimed
CN-108025004-B Muscarinic agonists 赫普泰雅治疗有限公司 2021-07-09 CN claimed
CN-108290055-B Oxime compounds as agonists of the muscle M1 and/or M4 receptor 赫普泰雅治疗有限公司 2021-05-14 CN claimed
CN-112154145-A Piperazine azaspiro derivatives 辉瑞大药厂 2020-12-29 CN claimed
CN-107406449-B Spiro compounds as agonists of the muscarinic M1 receptor and/or M4 receptor 赫普泰雅治疗有限公司 2020-11-10 CN claimed
CN-110944992-A Pharmaceutical compounds 赫普泰雅治疗有限公司 2020-03-31 CN claimed
CN-109851610-A Azabicyclo compound as muscarine M1 and/or M4 receptor stimulating agent 赫普泰雅治疗有限公司 2019-06-07 CN claimed
CN-106458986-B Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2019-01-04 CN claimed
CN-107406449-A As muscarine M1 acceptors and/or the spiro-compound of the activator of M4 acceptors 赫普泰雅治疗有限公司 2017-11-28 CN claimed
CN-106458986-A Bicyclic aza compounds as muscarinic M1 and/or M4 receptor agonists 赫普泰雅治疗有限公司 2017-02-22 CN claimed
CN-118103352-A Spiroindoline inhibitors of KIF18A 沃拉斯查疗法公司 2024-05-28 CN disclosed
CN-117794918-A Substituted tetrahydrofuran analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
US-5463095-A Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-10-31 US disclosed
EP-0629603-A1 Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-12-21 EP disclosed
US-3968133-A Carboxylation process for preparing linear fatty acids or esters TEXACO INC. (US) 1976-07-06 US disclosed