SCHEMBL16511698

SCHEMBL16511698

COCC(=O)OC1=C(c2ccccc2C)C(=O)OC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ LMNA P02545 1/20 0.33

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
SCHEMBL16511967 0.99 MAPT (0.35) MAPTTP53POLBTHRBLMNA
SCHEMBL16511711 0.89 POLB (0.39) MAPTTP53POLBTHRBLMNA
SCHEMBL16511693 0.88 MAPT (0.37) MAPTTP53POLBTHRBLMNA
SCHEMBL16511897 0.87 POLB (0.38) MAPTTP53POLBTHRBLMNA
SCHEMBL16511689 0.86 MAPT (0.36) MAPTTP53POLBTHRBLMNA
SCHEMBL16511709 0.86 MAPT (0.36) MAPTTP53POLBTHRBLMNA
SCHEMBL16511713 0.86 MAPT (0.36) MAPTTP53POLBTHRBLMNA
SCHEMBL16511893 0.84 MAPT (0.34) MAPTTP53POLBTHRBLMNA
SCHEMBL16511894 0.84 MAPT (0.34) MAPTTP53POLBTHRBLMNA
SCHEMBL16511965 0.84 MAPT (0.34) MAPTTP53POLBTHRBLMNA

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-2011153866-A1 3-(0-METHYLPHENYL)-2-OXO-L-OXASPIRO[4,5]-DEC-3-EN-4-OL DERIVATIVES WITH INSECTICIDAL, ACARICIDAL AND FUNGICIDAL ACTIVITIES AND THEIR PREPARATION METHODS 湖南化工研究院 (CN) 2011-12-15 — — WO disclosed
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