SCHEMBL8911876

SCHEMBL8911876

C=C1SC(=O)N(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
PTGS1 P23219 5/20 0.38
PTGS2 P35354 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
MEN1 O00255 1/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EEF2K O00418 1/20 0.36
SRC P12931 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALOX5 P09917 1/20 0.35
HPN P05981 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8496737 0.88 PTGS1 (0.40) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL8582964 0.85 PTGS2 (0.39) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL8501142 0.83 PTGS1 (0.36) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL8579119 0.78 CYP1A2 (0.40) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL11519790 0.74 ALDH1A1 (0.50) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL8583061 0.73 HSPA5 (0.32) PTGS2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8580639 0.73 CA2 (0.39) CA2CA1PTGS1PTGS2SMN1; SMN2
SCHEMBL11518256 0.73 TDP1 (0.41) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL8583284 0.72 PTGS2 (0.31) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL11451869 0.72 HSP90AA1 (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB

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-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed