SCHEMBL22965488

SCHEMBL22965488

CC(=O)O[C@H]1COC[C@H](OC(C)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.40
CHRM1 P11229 5/20 0.40
CHRM4 P08173 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRM5 P08912 2/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 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
SCHEMBL15685226 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL22083338 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL7691565 0.90
SCHEMBL12757779 0.84 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL10449210 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL14141163 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6653691 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL10397589 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL29890968 0.80 CHRM2 (0.32) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL8224670 0.77

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-2021025984-A1 RADIOLABELED SUGARS FOR IMAGING OF FUNGAL INFECTIONS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 WO disclosed