SCHEMBL8068591

SCHEMBL8068591

O=C(O)c1cc(C#Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 5/20 0.70
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
USP2 O75604 1/20 0.51
SLCO2B1 O94956 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
MMP1 P03956 1/20 0.51
ABCB1 P08183 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
TBXAS1 P24557 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL8057896 0.83 SLC7A11 (0.70) SLC7A11POLBALDH1A1TSHRMEN1
SCHEMBL9312200 0.83 SLC7A11 (0.70) SLC7A11POLBALDH1A1TSHRMEN1
SCHEMBL8067733 0.83 SLC7A11 (1.00) SLC7A11ALDH1A1TSHRMEN1ABCC3
SCHEMBL8068293 0.79 SLC7A11 (0.74) SLC7A11POLBALDH1A1TSHRMEN1
SCHEMBL8068346 0.77 SLC7A11 (0.66) SLC7A11ALDH1A1TSHRMEN1MAPT
Susalimod SCHEMBL1229340 0.74 SLC7A11 (1.00) SLC7A11POLBALDH1A1TSHRMEN1
Susalimod SCHEMBL8069177 0.73 SLC7A11 (0.98) SLC7A11POLBALDH1A1TSHRMEN1
SCHEMBL29023902 0.72 POLB (1.00) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL29967435 0.72 POLB (1.00) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL8067735 0.72 SLC7A11 (0.79) SLC7A11POLBALDH1A1TSHRMEN1

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