Acetone

Acetone

SCHEMBL8069250

CC(C)=O.Cc1cccnc1NS(=O)(=O)c1ccc(C=Cc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 4/20 0.69
PTPN1 P18031 3/20 0.48
HNF4A P41235 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN6 P29350 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
SLCO2B1 O94956 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
MMP1 P03956 1/20 0.46
ABCB1 P08183 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
Acetone SCHEMBL8069248 1.00 SLC7A11 (0.69) SLC7A11PTPN1HNF4APTPN2PTPN6
SCHEMBL8058555 0.98 SLC7A11 (0.71) SLC7A11PTPN1HNF4APTPN2PTPN6
SCHEMBL8058554 0.98 SLC7A11 (0.71) SLC7A11PTPN1HNF4APTPN2PTPN6
SCHEMBL8057929 0.97 SLC7A11 (0.70) SLC7A11PTPN1HNF4APTPN2PTPN6
Potassium Ion SCHEMBL8057923 0.89 SLC7A11 (0.59) SLC7A11PTPN1HNF4APTPN2PTPN6
Potassium Ion SCHEMBL8057927 0.89 SLC7A11 (0.59) SLC7A11PTPN1HNF4APTPN2PTPN6
SCHEMBL9144880 0.88 SLC7A11 (0.58) SLC7A11PTPN1MEN1KMT2ATSHR
SCHEMBL9144877 0.88 SLC7A11 (0.58) SLC7A11PTPN1MEN1KMT2ATSHR
SCHEMBL4914202 0.85 SLC7A11 (0.59) SLC7A11MEN1KMT2AUSP2TSHR
SCHEMBL4914197 0.85 SLC7A11 (0.59) SLC7A11MEN1KMT2AUSP2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed