SCHEMBL25875657

SCHEMBL25875657

CC(C)(C)OC(=O)N1CC2(CC(C(C)(C)O)CO2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.38
RECQL P46063 1/20 0.37
NR1H2 P55055 2/20 0.36
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RORC P51449 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL25875637 0.85 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL17973605 0.84 USP2 (0.40) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL21590661 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL15777271 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL19852387 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL21590800 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL25875015 0.83 USP2 (0.39) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL17960057 0.83 USP2 (0.39) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL23410584 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2
SCHEMBL30694887 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX2RECQLNR1H2

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
EP-4198038-A1 PROCESS FOR C-H INSERTION BY GEM-HYDROGENATION OF AN INTERNAL ALKYNE Studiengesellschaft Kohle mbH (DE) 2023-06-21 EP disclosed