SCHEMBL30933776

SCHEMBL30933776

CCOc1ccc(Cl)cc1CNC1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
PTGER1 P34995 2/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAPK8 P45983 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DDR1 Q08345 2/20 0.37

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
SCHEMBL30933703 0.94 CYP1A2 (0.43) CYP1A2CYP2D6PTGER1KMT2AL3MBTL1
SCHEMBL30933830 0.92 MAPK8 (0.45) CYP1A2CYP2D6PTGER1KMT2AL3MBTL1
SCHEMBL30933889 0.81 ANO1 (0.45) CYP1A2CYP2D6PTGER1KMT2ANPBWR1
SCHEMBL30933701 0.81 MAPK8 (0.44) PTGER1MAPK8HTR2CHTR2BDRD2
SCHEMBL29725626 0.79 GAA (0.52) CYP1A2KMT2AL3MBTL1POLBMEN1
SCHEMBL30933805 0.78 AHCY (0.48) CYP1A2CYP2D6L3MBTL1MAPK8
SCHEMBL30902410 0.78 DDR1 (0.54) KDM4DDRD2DRD4DDR1
SCHEMBL30933796 0.77 CYP1A2 (0.50) CYP1A2CYP2D6KMT2AL3MBTL1NPBWR1
SCHEMBL30933756 0.77 CYP1A2 (0.54) CYP1A2CYP2D6PTGER1KMT2AL3MBTL1
SCHEMBL29725596 0.77 KMT2A (0.52) KMT2AL3MBTL1MAPK8DRD2

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