SCHEMBL28363511

SCHEMBL28363511

CC1CCCC(C)C1C1OC(=O)CC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ STAT6 P42226 1/20 0.30
▸ SMAD3 P84022 1/20 0.30
▸ SMAD2 Q15796 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
SCHEMBL28366870 0.78 CYP2D6 (0.36) CA1CA9SMN1; SMN2CYP2D6
SCHEMBL15763919 0.69 CA1 (0.41) CA1CA9SMN1; SMN2
SCHEMBL28366913 0.69 ALDH1A1 (0.33) CA1CA9
SCHEMBL14026635 0.68 SMN1; SMN2 (0.41) CA1CA9SMN1; SMN2CYP2D6
SCHEMBL28463391 0.67 CA1 (0.33) CA1CA9SMN1; SMN2
SCHEMBL15763917 0.67 PRSS1 (0.34) CA1CA9SMN1; SMN2
SCHEMBL28363389 0.67 MAPT (0.33) CA1CA9
SCHEMBL71329 0.66 — —
SCHEMBL7568984 0.66 SMN1; SMN2 (0.48) CA1CA9SMN1; SMN2
SCHEMBL83058 0.64 SMN1; SMN2 (0.46) CA1CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997795-B High stiffness polypropylene impact copolymers 埃克森美孚化学专利公司 2022-10-04 — — CN disclosed
CN-110799549-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2022-03-15 — — CN disclosed
CN-108473612-B Solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 东邦钛株式会社 2021-02-05 — — CN disclosed
CN-110997795-A High stiffness polypropylene impact copolymers 埃克森美孚化学专利公司 2020-04-10 — — CN disclosed
CN-110799549-A Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for propylene polymerization 东邦钛株式会社 2020-02-14 — — CN disclosed
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