SCHEMBL18923481

SCHEMBL18923481

CC(C)(C)CCc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
SLC6A2 P23975 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
F2 P00734 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 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
SCHEMBL27285784 0.85 CA2 (0.44) CA2ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL9969388 0.82 TMEM97 (0.44) CA2SLC6A2MMP12MMP13
SCHEMBL11582128 0.81 ALDH1A1 (0.52) CA2ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL19599275 0.81 ALDH1A1 (0.52) CA2ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8260632 0.81 CA2 (0.63) CA2SMN1; SMN2CA12CA1CA4
SCHEMBL658697 0.81 LMNA (0.43) CA2ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1415343 0.81 F2 (0.40) CA2ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL9423906 0.80 ESR1 (0.48) CA2ALDH1A1HSD17B10TDP1CA12
SCHEMBL5480983 0.78 ALDH1A1 (0.38) CA2ALDH1A1HSD17B10TDP1SMN1; SMN2
SCHEMBL19604291 0.78 GRIA4 (0.41) CA2ALDH1A1SMN1; SMN2CA12CA1

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-9672952-B2 Polymer and conductive composition INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-06 US disclosed