SCHEMBL5138404

SCHEMBL5138404

CCCCCC(C)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
ACE2 Q9BYF1 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
TP53 P04637 1/20 0.45
OPRM1 P35372 1/20 0.44
FDPS P14324 4/20 0.43
FAAH O00519 1/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
NFKB1 P19838 1/20 0.41
MAPT P10636 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
SCHEMBL16298859 1.00 CA1 (0.57) CA1ACE2ZDHHC7TP53OPRM1
SCHEMBL8963949 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL3677429 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL8073537 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL3673850 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL11869095 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL22748707 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL14169844 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
SCHEMBL6117662 0.98 CA1 (0.55) CA1ACE2ZDHHC7TP53FDPS
Hydrochloric Acid SCHEMBL28426136 0.96 CA1 (0.53) CA1ACE2ZDHHC7TP53FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN claimed
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-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 CN claimed
CN-109790179-B Composition for hardening soft tissue 加图立大学校产学协力团 2022-01-14 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-101312952-B Tetrahydro-cyclopentapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV 2012-12-26 CN claimed
CN-101312952-A Tetrahydro-cyclopentapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-11-26 CN claimed
CN-118201921-A Lactams as CBL-B inhibitors selective for C-CBL 基因泰克公司 2024-06-14 CN disclosed
CN-113166149-B Compounds for the treatment of type II diabetes 尼奥比奥特克有限责任公司 2024-02-23 CN disclosed
CN-117551037-A Compounds as succinate dehydrogenase inhibitors and uses thereof 华东理工大学 2024-02-13 CN disclosed
CN-117440813-A EGFR degrading agents for treating brain or CNS cancer metastasis C4医药公司 2024-01-23 CN disclosed
CN-111936144-B JAK inhibitors 廖细斌 2023-12-22 CN disclosed
EP-0278105-B1 2,4,4-TRI- AND 2,2,4,4-TETRA-SUBSTITUTED-1,3-DIOXOLANE SCHERING CORP (US) 1992-05-06 EP disclosed
EP-0329711-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1989-08-30 EP disclosed
US-4788190-A 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds SCHERING CORPORATION (US) 1988-11-29 US disclosed
EP-0278105-A1 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane SCHERING CORPORATION (US) 1988-08-17 EP disclosed
WO-1988005048-A1 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS SCHERING CORPORATION (US) 1988-07-14 WO disclosed