SCHEMBL18113105

SCHEMBL18113105

CC(C(=O)O)c1ccccc1SC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 4/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ MMP16 P51512 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ ATM Q13315 2/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL18113061 0.85 ATM (0.37) PTGS1GAAALDH1A1MEN1LMNA
SCHEMBL19895797 0.85 TDP1 (0.41) MMP8GAAALDH1A1MEN1LMNA
SCHEMBL6713912 0.79 CA12 (0.53) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL6723569 0.79 CA12 (0.53) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL2209026 0.75 PTGS2 (0.44) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL9235115 0.72 SIRT1 (0.47) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL2204495 0.72 PTGS2 (0.56) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL16556233 0.71 MMP2 (0.41) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL9419835 0.71 MEN1 (0.49) PTGS1PTGS2MMP2MMP9MMP8
SCHEMBL18797642 0.70 PTGS2 (0.50) PTGS1PTGS2MMP2MMP9MMP8

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-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 — — EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 — — WO disclosed
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