SCHEMBL29129161

SCHEMBL29129161

CC(=O)C1(Oc2ccccc2)CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
KDM1A O60341 1/20 0.35
USP30 Q70CQ3 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TACR1 P25103 1/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
RORC P51449 1/20 0.33
BCHE P06276 1/20 0.33
PDK2 Q15119 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 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
SCHEMBL25425661 0.85 SIGMAR1 (0.35) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL25423853 0.81 MAPK1 (0.37) MAPK1GPR119KDM1AUSP30NR1H2
SCHEMBL30151394 0.75 NR1H2 (0.40) MAPK1GPR119KDM1AUSP30NR1H2
SCHEMBL28637688 0.75 NR1H2 (0.40) MAPK1GPR119KDM1ANR1H2NR1H3
SCHEMBL3733138 0.74 MAPK1 (0.39) MAPK1GPR119KDM1AUSP30NR1H2
SCHEMBL4321471 0.74 STS (0.39) MAPK1GPR119KDM4EPKMTACR1
SCHEMBL28029544 0.73 MAPK1 (0.39) MAPK1GPR119KDM1AUSP30NR1H2
SCHEMBL4710880 0.73 NR1H2 (0.39) MAPK1GPR119NR1H2NR1H3KDM4E
SCHEMBL27848384 0.73 GPR119 (0.42) MAPK1GPR119KDM1AUSP30NR1H2
SCHEMBL27848285 0.73 KDM4E (0.41) MAPK1GPR119KDM1AUSP30NR1H2

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed