SCHEMBL13848258

SCHEMBL13848258

CC(C)c1cc(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)c(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.56
ALDH1A1 P00352 7/20 0.54
GAA P10253 6/20 0.54
HSD17B10 Q99714 3/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 5/20 0.51
ALOX15 P16050 1/20 0.50
GLO1 Q04760 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NOD2 Q9HC29 1/20 0.48
PLAU P00749 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL13848086 0.86 ALDH1A1 (0.69) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL13848337 0.85 ALDH1A1 (0.57) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL13848367 0.81 MEN1 (0.65) PGAM1GAAHSD17B10HTTMEN1
SCHEMBL13848087 0.80 L3MBTL1 (0.59) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL3260752 0.79 MEN1 (0.62) PGAM1ALDH1A1GAAHTTMEN1
SCHEMBL13848260 0.78 ALDH1A1 (0.47) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL13848332 0.75 PGAM1 (0.46) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL13848265 0.75 PARP14 (0.49) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL13848259 0.74 PARP14 (0.48) PGAM1ALDH1A1GAAHSD17B10HTT
SCHEMBL28326534 0.73 HSD17B2 (0.61) PGAM1ALDH1A1GAAMEN1KMT2A

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-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed