SCHEMBL8734853

SCHEMBL8734853

CCSc1ccccc1S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 3/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 2/20 0.31
MAP2K7 O14733 1/20 0.31
S100A4 P26447 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL8732833 0.94 ALDH1A1 (0.32) ALDH1A1MAPTL3MBTL1HPGDPKM
SCHEMBL8730148 0.93 ACHE (0.32) ALDH1A1MAPTL3MBTL1HPGDMAPK1
SCHEMBL8732820 0.89 ALDH1A1 (0.32) ALDH1A1MAPTL3MBTL1HPGDPKM
SCHEMBL8732437 0.89 ALDH1A1 (0.32) ALDH1A1MAPTL3MBTL1HPGDPKM
SCHEMBL8735691 0.87 ALDH1A1 (0.34) ALDH1A1L3MBTL1HPGDPKM
SCHEMBL8734810 0.84 ACHE (0.36) ALDH1A1MAPTHPGDPKMTDP1
SCHEMBL8735018 0.82 FFAR4 (0.33) ALDH1A1L3MBTL1
SCHEMBL8734607 0.81 HPGD (0.30) HPGD
SCHEMBL8729899 0.81 HPGD (0.30) HPGD
SCHEMBL8732459 0.81 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1HPGDMAPK1

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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed