SCHEMBL8072316

SCHEMBL8072316

CC(C)COC(=O)c1cc(/C=C/c2ccc(S(=O)(=O)O)cc2)ccc1O.[KH].[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
PTPN1 P18031 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 2/20 0.40
HNF4A P41235 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37

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
Potassium SCHEMBL8072319 0.98 PTGS2 (0.48) PTGS2PTPN1ALDH1A1PTPN2PTPN6
Potassium Ion SCHEMBL8072318 0.88 PTGS2 (0.48) PTGS2PTPN1ALDH1A1PTPN2PTPN6
SCHEMBL8067245 0.85 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL8067249 0.85 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL8074124 0.83 PTGS2 (0.70) PTGS2PTPN1ALDH1A1PTPN2PTPN6
SCHEMBL8074128 0.83 PTGS2 (0.70) PTGS2PTPN1ALDH1A1PTPN2PTPN6
SCHEMBL27340160 0.81 PTGS2 (0.72) PTGS2PTPN1ALDH1A1PTPN2PTPN6
SCHEMBL8072369 0.78 SLC7A11 (0.69) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL8072366 0.78 SLC7A11 (0.69) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL8069256 0.77 ALDH1A1 (0.51) PTGS2PTPN1ALDH1A1PTPN2PTPN6

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 6 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
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 WO disclosed