SCHEMBL9728563

SCHEMBL9728563

CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.39
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
CHRM3 P20309 3/20 0.34
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PAX8 Q06710 1/20 0.33
NR1H2 P55055 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DAO P14920 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL3594428 0.77 CYP2C19 (0.41) CHRM3ALDH1A1PAX8HTR2CSLC6A4
SCHEMBL27488088 0.75 FABP5 (0.41)
SCHEMBL8726223 0.74 KMT2A (0.39) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2949855 0.72 CYP2C9 (0.44) CTSKCTSSALDH1A1PAX8MAPT
SCHEMBL8911121 0.72 CYP2C9 (0.44) CTSKCTSSALDH1A1PAX8MAPT
SCHEMBL73588 0.72 DAO (0.43) CHRM3ALDH1A1DAOCHRM2CHRM1
SCHEMBL1163820 0.71 PAX8 (0.41) GBA1CTSKCTSSCHRM3RIPK1
SCHEMBL3553060 0.70 CTSK (0.44) CTSKCTSSMAPTSMN1; SMN2
SCHEMBL4004775 0.70 CTSK (0.44) CTSKCTSSMAPTSMN1; SMN2
SCHEMBL7951407 0.69 SLC6A4 (0.40) CTSKCTSSALDH1A1HTR2CSLC6A4

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
US-5169833-A Analgesics G. D. SEARLE & CO. (US) 1992-12-08 US disclosed