SCHEMBL24633719

SCHEMBL24633719

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3CD O00329 6/20 0.42
NR1H2 P55055 1/20 0.39
HSD11B1 P28845 1/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
CCR2 P41597 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL92842 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL20713741 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL4084639 0.89 PIK3CD (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL4498311 0.89 PIK3CD (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL1002266 0.87 PIK3CD (0.58) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL13662060 0.87 PIK3CD (0.58) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL13748623 0.87 PIK3CD (0.58) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL1002636 0.87 PIK3CD (0.58) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL29770788 0.86 CHRM2 (0.44) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL29058378 0.86 CHRM2 (0.44) CHRM2CHRM1CHRM3CYP1A2POLB

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
WO-2023147328-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION WITH HYDOLYSABLE MALEIMIDE LINKERS AND METHODS THEREOF GENENTECH, INC. (US) 2023-08-03 WO disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed