SCHEMBL4892552

SCHEMBL4892552

CS.Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 2/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
VDR P11473 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD11B1 P28845 1/20 0.44
HSD17B3 P37058 1/20 0.44
HTT P42858 1/20 0.43
HTR6 P50406 1/20 0.43
DHODH Q02127 1/20 0.43
DRD1 P21728 4/20 0.42
PTGS2 P35354 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL6938234 0.86 VDR (0.54) MEN1KMT2AGAAESR1ESR2
SCHEMBL9542378 0.83 VDR (0.54) MEN1KMT2AGAAESR1ESR2
SCHEMBL4897321 0.79 FFAR1 (0.43) MEN1KMT2AGAAESR1ESR2
SCHEMBL30901850 0.79 LMNA (0.54) MEN1KMT2AGAAESR1ESR2
Propionaldehyde SCHEMBL28280001 0.77 LMNA (0.49) MEN1KMT2AGAAESR1ESR2
Iodide SCHEMBL7892639 0.77 ITGB1 (0.44) MEN1KMT2AGAAESR1ESR2
SCHEMBL6937775 0.76 KMT2A (0.72) MEN1KMT2AGAAESR1ESR2
SCHEMBL5860749 0.76 HSD11B1 (0.53) MEN1KMT2AGAAESR1ESR2
Iodide SCHEMBL7892658 0.76 TSHR (0.45) MEN1KMT2AGAAESR1ESR2
SCHEMBL2058545 0.74 ALDH1A1 (0.56) MEN1KMT2AMAPK1MAPTALDH1A1

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-20080187859-A1 Radiation-Sensitive Resin Composition JSR CORPORATION (JP) 2008-08-07 US disclosed