Sugi Predict

Sugi Predict / Compounds / SCHEMBL28565165

SCHEMBL28565165

SCHEMBL28565165

C1CC(OOC2CCC2)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL10800200 0.91 CA1 (0.36) CA1CA2CA12CA9
SCHEMBL28573115 0.87 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL11679637 0.87 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL36848 0.87 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL11638037 0.87 CA1 (0.41) CA1CA2CA12CA9
SCHEMBL15157468 0.84 CA1 (0.39) CA1CA2CA12CA9
SCHEMBL11285756 0.75 CA1 (0.33) CA1CA2CA12CA9
Bicarbonate SCHEMBL6566447 0.73 EPHX1 (0.43) CA1CA2CA12CA9
Bicarbonate SCHEMBL366336 0.73 EPHX1 (0.43) CA1CA2CA12CA9
Bicarbonate SCHEMBL28775658 0.73 EPHX1 (0.43) CA1CA2CA12CA9

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
CN-109575910-B High-sensitivity force-induced color-changing composite material and preparation method thereof 南京工程学院 2022-02-11 — — CN disclosed
CN-109651587-B Phenolphthalein derivative-containing material-based photochromic high polymer material with rapid self-recovery property and preparation method thereof 南京工程学院 2021-04-20 — — CN disclosed