SCHEMBL11037516

SCHEMBL11037516

Nc1cccc(CCS(=O)(=O)O)c1CCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
FDPS P14324 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL27678030 0.89 TTR (0.41) TTRCYP2D6ALDH1A1TSHRHSD17B10
SCHEMBL8767340 0.83 FDPS (0.41) TTRCYP2D6ALDH1A1TSHRGAA
SCHEMBL27484653 0.81 S1PR1 (0.38) TTRALDH1A1HSD17B10S1PR2S1PR1
SCHEMBL27976075 0.76 TTR (0.40) TTRALDH1A1TSHRHSD17B10TDP1
SCHEMBL28753454 0.74 MGLL (0.38) TTRCYP2D6ALDH1A1TSHRHSD17B10
SCHEMBL11285123 0.73 MGLL (0.40) TTRCYP2D6ALDH1A1GAAS1PR2
SCHEMBL11499333 0.72 MGLL (0.44) TTRCYP2D6S1PR2S1PR1S1PR3
SCHEMBL27700317 0.71 MGLL (0.46) TTRCYP2D6ALDH1A1GAAS1PR2
SCHEMBL4940219 0.71 CD44 (0.37) TTRCYP2D6ALDH1A1TSHRTDP1
SCHEMBL7049241 0.71 FDPS (0.43) TTRALDH1A1TSHRHSD17B10TDP1

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-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed