SCHEMBL13827464

SCHEMBL13827464

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)NCCOCCNC(=O)CCCC[C@@H]3CCSS3)c(OC)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TOP2A P11388 4/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ABCB1 P08183 2/20 0.45
▸ AKR1B1 P15121 2/20 0.45
▸ MAOA P21397 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ PTGES O14684 2/20 0.45
▸ ALOX5 P09917 2/20 0.45
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HDAC3 O15379 1/20 0.45

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
SCHEMBL13827755 0.96 APP (0.48) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13827610 0.91 BCHE (0.47) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13827364 0.79 MAPT (0.49) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13827462 0.77 APP (0.51) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13125809 0.76 TOP2A (0.59) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13827466 0.74 APP (0.53) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL15107045 0.73 TOP2A (0.52) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL14219786 0.72 TOP2A (0.51) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL13827293 0.72 APP (0.54) APPMAPTTOP2ABACE1CYP2D6
SCHEMBL9906246 0.71 APP (0.49) APPMAPTTOP2ABACE1CYP2D6

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
WO-2012154564-A1 FATTY ACID PHENOLIC DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-15 — — WO disclosed
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