SCHEMBL8067259

SCHEMBL8067259

CCOC(=O)c1cc(C=Cc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC7A11 Q9UPY5 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL27330492 0.89 SLC7A11 (0.63) FASNMAPTCYP2C9SLC7A11NPSR1
Alcohol SCHEMBL8067256 0.88 SLC7A11 (0.60) FASNRXFP1MAPTCYP2C9SLC7A11
SCHEMBL8057906 0.85 SLC7A11 (0.56) MAPTSLC7A11ALDH1A1LMNAPOLB
SCHEMBL11965816 0.74 CA12 (0.69) KMT2A
SCHEMBL8068575 0.74 SLC7A11 (0.52) MAPTSLC7A11NPSR1MAPK1ALDH1A1
SCHEMBL8068573 0.74 SLC7A11 (0.52) MAPTSLC7A11NPSR1MAPK1ALDH1A1
SCHEMBL8072366 0.74 SLC7A11 (0.69) RXFP1MAPTCYP2C9SLC7A11MAPK1
SCHEMBL8072369 0.74 SLC7A11 (0.69) RXFP1MAPTCYP2C9SLC7A11MAPK1
SCHEMBL9144877 0.73 SLC7A11 (0.58) MAPTSLC7A11POLBSMN1; SMN2MEN1
SCHEMBL9144880 0.73 SLC7A11 (0.58) MAPTSLC7A11POLBSMN1; SMN2MEN1

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