SCHEMBL8067342

SCHEMBL8067342

Cc1cccc(NS(=O)(=O)c2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 3/20 0.70
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HSD11B1 P28845 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
PTPN1 P18031 2/20 0.51
PTPN2 P17706 1/20 0.51
PTPN6 P29350 1/20 0.51
HNF4A P41235 1/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
USP2 O75604 1/20 0.48
SLCO2B1 O94956 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL8067345 1.00 SLC7A11 (0.70) SLC7A11ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8067761 0.83 SLC7A11 (1.00) SLC7A11ALDH1A1HPGDKDM4EPTPN1
SCHEMBL8068359 0.83 SLC7A11 (1.00) SLC7A11ALDH1A1HPGDKDM4EPTPN1
SCHEMBL27330492 0.82 SLC7A11 (0.63) SLC7A11ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL8069117 0.82 SLC7A11 (0.66) SLC7A11ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL8069115 0.82 SLC7A11 (0.66) SLC7A11ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL8068378 0.81 SLC7A11 (0.70) SLC7A11ALDH1A1HPGDKDM4EPTPN1
SCHEMBL8068375 0.81 SLC7A11 (0.70) SLC7A11ALDH1A1HPGDKDM4EPTPN1
Alcohol SCHEMBL8067256 0.80 SLC7A11 (0.60) SLC7A11ALDH1A1PTPN1PTPN2PTPN6
SCHEMBL29759524 0.79 SLC7A11 (0.71) SLC7A11ALDH1A1KDM4EPTPN1PTPN2

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