SCHEMBL23555151

SCHEMBL23555151

CC(C)CCCCc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.47
CA2 P00918 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL10609576 0.98 FUT7 (0.49) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL10609457 0.95 CA2 (0.43) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL10606942 0.87 ALDH1A1 (0.40) CA2SMN1; SMN2CA1CA9ALDH1A1
SCHEMBL9420098 0.81 FUT7 (0.52) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL11868694 0.81 FUT7 (0.49) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL9927244 0.81 FUT7 (0.49) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL11711323 0.81 FUT7 (0.56) FUT7CA2SMN1; SMN2LMNAHTT
SCHEMBL981061 0.80 CA2 (0.68) CA2SMN1; SMN2LMNAHTTCA1
Calcium SCHEMBL9420103 0.80 FUT7 (0.48) FUT7CA2SMN1; SMN2LMNAHTT
Ammonia Solution, Strong SCHEMBL9420050 0.80 FUT7 (0.48) FUT7CA2SMN1; SMN2LMNAHTT

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed