SCHEMBL23449124

SCHEMBL23449124

CCC[C@@H]1C[C@@H](OC(C)=O)C(OC(C)=O)O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
OGA O60502 1/20 0.33
CHRM2 P08172 5/20 0.32
CHRM1 P11229 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 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
SCHEMBL22911675 1.00 TSHR (0.34) TSHROGACHRM2CHRM1CHRM4
SCHEMBL19705300 1.00 TSHR (0.34) TSHROGACHRM2CHRM1CHRM4
SCHEMBL6974952 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL9910565 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL17972374 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL15489375 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL9910569 0.86 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL17976699 0.83 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL12721725 0.83 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4
SCHEMBL12721734 0.83 TSHR (0.36) TSHROGACHRM2CHRM1CHRM4

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-2021108649-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2021-06-03 WO disclosed