SCHEMBL30933769

SCHEMBL30933769

CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(Cl)cc2OCC2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
RBP4 P02753 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN9A Q15858 1/20 0.42
HTR6 P50406 4/20 0.42
BCHE P06276 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CNR1 P21554 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
STS P08842 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ANO1 Q5XXA6 1/20 0.41

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
SCHEMBL30933696 1.00 MAPK8 (0.46) MAPK8RBP4ALDH1A1SCN9AHTR6
SCHEMBL30933797 0.94 KDM4E (0.48) MAPK8ALDH1A1HTR6KDM4EPKM
SCHEMBL30933826 0.93 MAPK8 (0.46) MAPK8RBP4ALDH1A1SCN9AHTR6
SCHEMBL4329719 0.86 ALDH1A1 (0.56) MAPK8ALDH1A1KDM4EPKMIDO1
SCHEMBL30933793 0.86 KDM4E (0.48) MAPK8ALDH1A1HTR6KDM4EPKM
SCHEMBL30933782 0.84 KDM4E (0.47) MAPK8ALDH1A1SCN9AHTR6KDM4E
SCHEMBL30933725 0.84 MAPK8 (0.46) MAPK8ALDH1A1HTR6BCHEKDM4E
SCHEMBL30933760 0.84 MAPK8 (0.46) MAPK8ALDH1A1HTR6BCHEKDM4E
SCHEMBL30933779 0.84 MAPK8 (0.46) MAPK8ALDH1A1HTR6BCHEKDM4E
SCHEMBL30933831 0.84 GPR119 (0.49) RBP4SCN9AHTR6KDM4EPKM

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed