SCHEMBL5505980

SCHEMBL5505980

COc1ccc(-c2c(Oc3ccc(S(C)(=O)=O)cc3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 5/20 0.39
MMP2 P08253 3/20 0.39
MMP8 P22894 3/20 0.39
MMP12 P39900 3/20 0.39
MMP13 P45452 3/20 0.39
MMP14 P50281 3/20 0.39
MMP16 P51512 3/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPK8 P45983 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL5505765 0.85 PTGDR2 (0.44)
SCHEMBL5507821 0.77 ACACB (0.39)
SCHEMBL5507776 0.76 RXRA (0.42)
SCHEMBL5502236 0.75 FFAR1 (0.38) AKR1C2
SCHEMBL5517204 0.73 TOP1 (0.34)
SCHEMBL5502589 0.70 EGLN1 (0.39)
SCHEMBL5516043 0.69 POLB (0.43)
SCHEMBL14097069 0.65 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5235960 0.65 HSD17B10 (0.54) PTGS2PTGS1MMP2MMP8MMP12
SCHEMBL8005674 0.64 PKM (0.61) PTGS2PTGS1MMP2MMP8MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed