SCHEMBL13106960

SCHEMBL13106960

CC(=O)COc1ccccc1CS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRM4 Q14833 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL24079456 0.88 PTGDR2 (0.52) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL9813771 0.75 PTGDR2 (0.51) L3MBTL1MAPTPTGDR2
SCHEMBL9813783 0.73 PTGDR2 (0.51) L3MBTL1MAPTPTGDR2
SCHEMBL19001359 0.73 L3MBTL1 (0.62) L3MBTL1KMT2AATMNPC1MAPT
SCHEMBL9813830 0.73 PTGDR2 (0.47) L3MBTL1MAPTPTGDR2
SCHEMBL13676607 0.72 PSEN1 (0.69) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL9148308 0.72 L3MBTL1 (0.60) L3MBTL1KMT2AMAPTPTGDR2SMN1; SMN2
SCHEMBL9384735 0.72 L3MBTL1 (0.60) L3MBTL1KMT2ANPC1MAPTPTGDR2
SCHEMBL7414750 0.71 KMT2A (0.54) L3MBTL1KMT2AATMNPC1MAPT
SCHEMBL2955119 0.71 KMT2A (0.62) L3MBTL1KMT2ALMNAPTGDR2SMN1; SMN2

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-20100255598-A1 Medication Adherence Monitoring System UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2010-10-07 US disclosed