SCHEMBL8057906

SCHEMBL8057906

CCOC(=O)c1cc(C=Cc2ccc(S(=O)(=O)Nc3cc(C)ccn3)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A11 Q9UPY5 1/20 0.56
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.43
KMT2A Q03164 3/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
Alcohol SCHEMBL8997978 0.87 SLC7A11 (0.68) SLC7A11KDM4EALDH1A1LMNASMN1; SMN2
Alcohol SCHEMBL8057903 0.87 SLC7A11 (0.68) SLC7A11KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8067259 0.85 FASN (0.52) SLC7A11ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8072369 0.79 SLC7A11 (0.69) SLC7A11KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8072366 0.79 SLC7A11 (0.69) SLC7A11KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8069398 0.78 SLC7A11 (0.79) SLC7A11KDM4EALDH1A1LMNAPOLB
SCHEMBL8069397 0.78 SLC7A11 (0.79) SLC7A11KDM4EALDH1A1LMNAPOLB
SCHEMBL27330492 0.74 SLC7A11 (0.63) SLC7A11ALDH1A1LMNASMN1; SMN2POLB
Alcohol SCHEMBL8067256 0.74 SLC7A11 (0.60) SLC7A11ALDH1A1LMNAPOLBMAPT
SCHEMBL11965816 0.74 CA12 (0.69) KMT2APTGS2CA12CA1CA2

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