SCHEMBL23071013

SCHEMBL23071013

CC(C)(C)OC(=O)N1CCC2(CC(OCCOS(C)(=O)=O)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.45
SCD5 Q86SK9 1/20 0.39
CYP11B2 P19099 1/20 0.38
ACACB O00763 5/20 0.38

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
SCHEMBL484279 0.85 GPR119 (0.53) GPR119
SCHEMBL23071022 0.84 GPR119 (0.41) GPR119SCD5CYP11B2ACACB
SCHEMBL9994892 0.83 GPR119 (0.44) GPR119SCD5CYP11B2ACACB
SCHEMBL26967191 0.82 GPR119 (0.49) GPR119SCD5CYP11B2ACACB
SCHEMBL16122895 0.82 CYP11B2 (0.42) GPR119SCD5CYP11B2ACACB
SCHEMBL15285140 0.80 GPR119 (0.42) GPR119SCD5CYP11B2ACACB
SCHEMBL21828491 0.79 GPR119 (0.49) GPR119
SCHEMBL15885547 0.79 NR1H2 (0.44) GPR119
SCHEMBL18922673 0.78 CYP11B2 (0.45) GPR119SCD5CYP11B2ACACB
SCHEMBL21996917 0.77 GPR119 (0.47) GPR119ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112442050-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed
CN-113527292-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-10-22 CN disclosed
WO-2021043209-A1 RET INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2021-03-11 WO disclosed