SCHEMBL3948516

SCHEMBL3948516

CC(C)(C)[N+]1(C(=O)[O-])C[C@@H](OS(C)(=O)=O)C[C@@H]1COc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.34
CHRM3 P20309 1/20 0.32
FFAR4 Q5NUL3 3/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3950223 0.84 FFAR4 (0.34) CHRM3FFAR4NPC1POLBCASP3
SCHEMBL3954707 0.82 TDP1 (0.32) CHRM3FFAR4
SCHEMBL3950891 0.82
SCHEMBL3952247 0.81 FFAR4 (0.33) CHRM3FFAR4NPC1POLBCASP3
SCHEMBL3949073 0.80
SCHEMBL3955604 0.78 ALDH1A1 (0.34) POLBHPGDMAPT
SCHEMBL3950301 0.73 CPT2 (0.41) POLB
SCHEMBL3952310 0.72
SCHEMBL3946190 0.70 SSTR4 (0.34) FFAR4MAPT
SCHEMBL3949539 0.69

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-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed