SCHEMBL8074128

SCHEMBL8074128

COC(=O)c1cc(C=Cc2ccc(S(=O)(=O)O)cc2)ccc1O.[KH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.70
PTGS1 P23219 1/20 0.53
PTPN1 P18031 5/20 0.52
CA2 P00918 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPN6 P29350 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.46
HNF4A P41235 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8074124 1.00 PTGS2 (0.70) PTGS2PTGS1PTPN1CA2PTPN2
SCHEMBL27340160 0.99 PTGS2 (0.72) PTGS2PTGS1PTPN1CA2PTPN2
SCHEMBL13926061 0.87 PTGS2 (0.84) PTGS2PTGS1PTPN1CA2PTPN2
Potassium Ion SCHEMBL8074126 0.86 PTGS2 (0.70) PTGS2PTGS1PTPN1CA2PTPN2
SCHEMBL8069277 0.83 PTGS2 (0.48) PTGS2PTPN1CA2MEN1KMT2A
SCHEMBL8069273 0.83 PTGS2 (0.48) PTGS2PTPN1CA2MEN1KMT2A
SCHEMBL8072316 0.83 PTGS2 (0.48) PTGS2PTGS1PTPN1CA2PTPN2
SCHEMBL17363910 0.82 HSD17B10 (0.62) PTGS2PTGS1CA2CA12CA1
Potassium SCHEMBL8072319 0.80 PTGS2 (0.48) PTGS2PTGS1PTPN1CA2PTPN2
SCHEMBL11747967 0.78 PHLPP2 (0.62) PTGS2PTGS1CA2CA12CA1

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