SCHEMBL6293039

SCHEMBL6293039

CC(C)C(C)(C)OC(=O)c1cc(C(=O)OC(C)(C)C(C)C)cc(S(=O)(=O)O)c1.[CaH2]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ STAT3 P40763 1/20 0.33
▸ CA7 P43166 1/20 0.32
▸ ING2 Q9H160 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
SCHEMBL6856699 0.97 LCK (0.46) LCKFYNCA12CA1CA2
SCHEMBL6293232 0.85 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL178361 0.83 LCK (0.52) LCKFYNCA12CA1CA2
SCHEMBL6293037 0.83 CA12 (0.37) LCKFYNCA12CA1CA2
SCHEMBL6856696 0.83 CA12 (0.37) LCKFYNCA12CA1CA2
SCHEMBL7459474 0.81 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL6858676 0.81 LCK (0.50) LCKFYNCA12CA1CA2
SCHEMBL12455058 0.80 CA12 (0.46) LCKFYNCA12CA1CA2
SCHEMBL6291905 0.78 CA12 (0.55) LCKFYNCA12CA1CA2
SCHEMBL2114844 0.76 LCK (0.62) LCKFYNCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977129-B2 Charge control agent, toner using same developer containing the toner and developing device containing the developer RICOH COMPANY, LTD. (JP) 2005-12-20 — — US disclosed
US-20030162018-A1 Charge control agent, toner using same developer containing the toner and developing device containing the developer TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2003-08-28 — — US disclosed
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