SCHEMBL9058778

SCHEMBL9058778

CC(C)C[C@@H]1C[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 1/20 0.42
REN P00797 3/20 0.42
ACE P12821 1/20 0.42
APP P05067 2/20 0.41
AKT1 P31749 1/20 0.41
KMT2A Q03164 2/20 0.41
SCN9A Q15858 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
SCHEMBL9472908 1.00 ATM (0.45) ATMCTSSCTSLCTSBCTSK
SCHEMBL7584316 0.91 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL7443701 0.91 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL9005035 0.91 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL6312228 0.91 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL7432732 0.91 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL7397628 0.89 ATM (0.44) ATMCTSSCTSLCTSBCTSK
SCHEMBL8270815 0.88 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL8270810 0.88 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL6836252 0.88 ATM (0.43) ATMCTSSCTSLCTSBCTSK

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-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed