SCHEMBL26296178

SCHEMBL26296178

CC(=O)CN(C)C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.62
CTSB P07858 1/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
OPRK1 P41145 1/20 0.55
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30576761 0.86 CTSL (0.58) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL8913074 0.84 CTSL (0.69) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL19174541 0.84 CTSL (0.62) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL26308845 0.83 CTSL (0.55) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL4462583 0.82 LMNA (0.61) CTSLCTSBCTSSCTSKLMNA
SCHEMBL13256477 0.82 CTSL (0.60) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL26349907 0.82 CTSL (0.66) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL764273 0.81 CTSL (0.64) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL3982639 0.81 CTSL (0.58) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL13257317 0.80 CTSL (0.60) CTSLCTSBCTSSCTSKOPRK1

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-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed