SCHEMBL25432161

SCHEMBL25432161

CC(C)(C)OC(=O)N1CC(n2ccc(O)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NAMPT P43490 1/20 0.40
USP30 Q70CQ3 2/20 0.40
RORC P51449 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SPR P35270 1/20 0.39
ESR2 Q92731 1/20 0.39
FPR2 P25090 1/20 0.38
PDE4B Q07343 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 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
SCHEMBL29945868 0.86 GPR119 (0.48) GPR119KDM4EPTPN2PTPN1PTPN6
SCHEMBL31056160 0.85 FPR2 (0.42) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL255140 0.85 NR1H2 (0.43) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL21063625 0.84 USP30 (0.41) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL25308596 0.84 PIK3CA (0.42) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL26090665 0.83 NR1H2 (0.38) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL21063582 0.82 NR1H2 (0.42) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL15293710 0.81 ALDH1A1 (0.44) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL14698800 0.77 USP30 (0.45) NR1H2NAMPTUSP30RORCGPR119
SCHEMBL31052491 0.76 SRC (0.48) USP30GPR119PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed