SCHEMBL14026635

SCHEMBL14026635

CC1CCCC2OC(=O)CC(C)C12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ PRSS1 P07477 2/20 0.31
▸ CTRC Q99895 2/20 0.31
▸ F2 P00734 1/20 0.31

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
SCHEMBL5431775 0.74 SMN1; SMN2 (0.43) SMN1; SMN2CA1CA9CYP2D6PRSS1
SCHEMBL16057985 0.69 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA9CYP2D6PRSS1
SCHEMBL107577 0.69 — —
SCHEMBL20715356 0.69 — —
SCHEMBL1456817 0.69 — —
SCHEMBL13424991 0.69 — —
SCHEMBL12719898 0.69 — —
SCHEMBL28363511 0.68 CA1 (0.35) SMN1; SMN2CA1CA9CYP2D6
SCHEMBL18965610 0.65 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA9
SCHEMBL13983807 0.65 — —

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-20080257188-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PRODUCTION METHOD OF A PLANOGRAPHIC PRINTNG PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-10-23 — — US disclosed
US-20080257188-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PRODUCTION METHOD OF A PLANOGRAPHIC PRINTNG PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-10-23 — — US disclosed
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