SCHEMBL25869374

SCHEMBL25869374

C[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CC2)CO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.38
SCD5 Q86SK9 1/20 0.38
RECQL P46063 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RORC P51449 2/20 0.36
ACACB O00763 4/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP11B2 P19099 1/20 0.34
GPR183 P32249 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
SCHEMBL25869375 0.83 RORC (0.39) USP2SMN1; SMN2NR1H2SCD5RECQL
SCHEMBL29580095 0.82 NR1H2 (0.45) USP2SMN1; SMN2NR1H2SCD5RECQL
SCHEMBL22720414 0.78 NR1H2 (0.41) USP2SMN1; SMN2NR1H2SCD5RECQL
SCHEMBL22241106 0.77 USP2 (0.46) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL21851985 0.77 USP2 (0.46) USP2SMN1; SMN2RECQLHPGDEPHX2
SCHEMBL21279710 0.77 USP2 (0.47) USP2SMN1; SMN2NR1H2RECQLHPGD
SCHEMBL16573803 0.76 USP2 (0.48) USP2SMN1; SMN2NR1H2SCD5RECQL
SCHEMBL23890773 0.74 USP2 (0.57) USP2SMN1; SMN2NR1H2RECQLHPGD
SCHEMBL16664672 0.74 USP2 (0.57) USP2SMN1; SMN2NR1H2RECQLHPGD
SCHEMBL1515253 0.74 USP2 (0.57) USP2SMN1; SMN2NR1H2RECQLHPGD

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-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed