SCHEMBL10395751

SCHEMBL10395751

Nc1ccc(OCC(=O)NCCS(=O)(=O)CCO)c(S(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
Hydrochloric Acid SCHEMBL10394910 0.89 HSD17B10 (0.36) HSD17B10LMNAHTTHPGDRAPGEF4
SCHEMBL8086619 0.80 HSD17B10 (0.41) HSD17B10LMNAHTTPTGDR2HPGD
SCHEMBL8087903 0.79 HSD17B10 (0.40) HSD17B10LMNAHTTPTGDR2HPGD
SCHEMBL9812902 0.73 HSD17B10 (0.45) HSD17B10HTTPTGDR2HPGDRAPGEF4
SCHEMBL8079307 0.70 HSD17B10 (0.38) HSD17B10LMNAHTTPTGDR2HPGD
Hydrochloric Acid SCHEMBL10354413 0.70 HSD17B10 (0.46) HSD17B10LMNAHTTRAPGEF4ALDH1A1
SCHEMBL8090791 0.69 HSD17B10 (0.38) HSD17B10LMNAHTTPTGDR2HPGD
SCHEMBL5677336 0.69 HSD17B10 (0.63) HSD17B10HTTHPGDRAPGEF4ALDH1A1
SCHEMBL9470946 0.69 HSD17B10 (0.42) HSD17B10HTTRAPGEF4ALDH1A1L3MBTL1
SCHEMBL8164591 0.68 HSD17B10 (0.45) HSD17B10HTTPTGDR2HPGDRAPGEF4

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-4968782-A Fibre-reactive dyes containing a substituted sulfonylaminocarbonyl group CIBA-GEIGY CORPORATION (US) 1990-11-06 US disclosed