SCHEMBL25630739

SCHEMBL25630739

CC(O)C#C[C@H]1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP30 Q70CQ3 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL25177445 0.83 USP2 (0.49) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL4202170 0.81 USP2 (0.53) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL15920709 0.80 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL15920689 0.80 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL15920687 0.80 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL15788105 0.77 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL15788104 0.77 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL30613708 0.77 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL18909932 0.77 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1
SCHEMBL13482004 0.77 USP2 (0.51) USP2SMN1; SMN2RECQLMAPTALDH1A1

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-2023097031-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed