SCHEMBL24359015

SCHEMBL24359015

COCc1cccc(OCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
PDK2 Q15119 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
IDO1 P14902 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
NQO2 P16083 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.43

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
SCHEMBL17974300 0.88 CA12 (0.54) CA12CA1CA2CA9PDK2
SCHEMBL18856062 0.88 CA12 (0.49) CA12CA1CA2CA9PDK2
SCHEMBL24358909 0.87 CA12 (0.49) CA12CA1CA2CA9PDK2
SCHEMBL17974302 0.86 CA12 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL30441709 0.86 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL23729233 0.86 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL22118765 0.85 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL28430727 0.85 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL31724915 0.85 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL21089840 0.84 CA12 (0.55) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed