SCHEMBL6470799

SCHEMBL6470799

CC(=O)c1ccc(S(=O)(=O)CCC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
HTT P42858 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HSD11B1 P28845 4/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PAX8 Q06710 1/20 0.49

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
SCHEMBL2212154 0.90 HSD17B10 (0.60) KDM4EHTTNPSR1ALDH1A1HSD17B10
SCHEMBL12106076 0.85 HTT (0.62) KDM4EHTTNPSR1ALDH1A1HSD17B10
SCHEMBL7869978 0.85 HTT (0.62) KDM4EHTTNPSR1ALDH1A1HSD17B10
SCHEMBL12103715 0.83 HTT (0.59) KDM4EHTTNPSR1ALDH1A1KMT2A
SCHEMBL20796169 0.81 ALDH1A1 (0.52) KDM4EHTTALDH1A1KMT2AMEN1
SCHEMBL7704838 0.81 ALDH1A1 (0.67) KDM4EHTTNPSR1ALDH1A1HSD17B10
SCHEMBL10419192 0.81 MMP2 (0.59) ALDH1A1HSD11B1POLB
SCHEMBL7075505 0.81 HSD11B1 (0.62) KDM4EHTTNPSR1ALDH1A1HSD17B10
SCHEMBL25128778 0.80 KMT2A (0.76) HTTALDH1A1HSD17B10KMT2ALMNA
SCHEMBL7868867 0.80 ALDH1A1 (0.65) KDM4EHTTNPSR1ALDH1A1HSD17B10

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-2005110955-A1 SUBSTITUTED ACETOPHENOME AS MS REAGENTS GE HEALTHCARE BIO-SCIENCES AB (SE) 2005-11-24 WO disclosed