SCHEMBL14875190

SCHEMBL14875190

CCCOC(=O)c1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(C(=O)OCCC)c2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ APP P05067 9/20 0.59
▸ TOP2A P11388 2/20 0.56
▸ MAPT P10636 4/20 0.55
▸ BACE1 P56817 3/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ PTGS2 P35354 2/20 0.55
▸ ABCB1 P08183 2/20 0.55
▸ AKR1B1 P15121 2/20 0.55
▸ MAOA P21397 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PTGES O14684 1/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ CA12 O43570 1/20 0.55

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
SCHEMBL14875129 0.84 PTGS2 (0.70) APPTOP2AMAPTBACE1CYP2D6
SCHEMBL14875128 0.84 PTGS2 (0.70) APPTOP2AMAPTBACE1CYP2D6
SCHEMBL2612584 0.83 L3MBTL1 (0.53) L3MBTL1APPTSHRPTGS2KDM4E
SCHEMBL16199454 0.79 PTGS2 (0.56) L3MBTL1APPMAPTTSHRHSD17B10
SCHEMBL2608352 0.76 CA12 (0.50) L3MBTL1APPMAPTCYP2D6TSHR
SCHEMBL16868833 0.76 PTPN1 (0.71) APPTOP2AMAPTBACE1CYP2D6
SCHEMBL14887101 0.76 PTPN1 (0.71) APPTOP2AMAPTBACE1CYP2D6
SCHEMBL3454263 0.76 CA12 (0.75) L3MBTL1CYP2D6TSHRPTGS2CYP2C19
SCHEMBL2608353 0.76 L3MBTL1 (0.46) L3MBTL1APPTSHRPTGS2KDM4E
SCHEMBL16229673 0.75 L3MBTL1 (0.47) L3MBTL1APPMAPTTSHRHSD17B10

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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