SCHEMBL14875129

SCHEMBL14875129

COC(=O)c1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(C(=O)OC)c2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.70
▸ BACE1 P56817 5/20 0.66
▸ APP P05067 5/20 0.66
▸ MAPT P10636 5/20 0.66
▸ NFKB1 P19838 3/20 0.66
▸ MMP9 P14780 3/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ ABCB1 P08183 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ MAOA P21397 2/20 0.66
▸ MAOB P27338 2/20 0.66
▸ TOP2A P11388 2/20 0.66
▸ HDAC3 O15379 2/20 0.66
▸ HDAC1 Q13547 2/20 0.66
▸ HDAC2 Q92769 2/20 0.66
▸ HDAC6 Q9UBN7 2/20 0.66
▸ NFE2L2 Q16236 2/20 0.66

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
SCHEMBL14875128 1.00 PTGS2 (0.70) PTGS2BACE1APPMAPTNFKB1
SCHEMBL13145953 0.88 TTR (0.71) PTGS2BACE1APPMAPTNFKB1
SCHEMBL13926061 0.87 PTGS2 (0.84) PTGS2BACE1APPMAPTNFKB1
SCHEMBL14875190 0.84 L3MBTL1 (0.61) PTGS2BACE1APPMAPTNFKB1
SCHEMBL16868833 0.82 PTPN1 (0.71) PTGS2BACE1APPMAPTNFKB1
SCHEMBL14887101 0.82 PTPN1 (0.71) PTGS2BACE1APPMAPTNFKB1
SCHEMBL25191710 0.81 PTGS2 (0.62) PTGS2NFKB1NFKB2RELAMEN1
SCHEMBL25196812 0.81 PTGS2 (0.62) PTGS2NFKB1NFKB2RELAMEN1
SCHEMBL853107 0.80 PTGS2 (0.69) PTGS2MAPTCYP2C9TSHRCA12
Curcumin SCHEMBL17629818 0.79 APP (1.00) PTGS2BACE1APPMAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102498-A1 COMPOSITIONS AND METHODS FOR DETECTING AMYLOID-BETA-DEGRADING ENZYME ACTIVITY ACADEMIA SINICA (TW) 2013-04-25 — — US disclosed
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