SCHEMBL19456758

SCHEMBL19456758

C=CC(=O)OCCCOc1cccc(OCCOCCOCCOC(=O)C=C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.66
TSHR P16473 6/20 0.54
ALDH1A1 P00352 6/20 0.54
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.42
FFAR1 O14842 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL17033932 1.00 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17033935 0.99 THRB (0.64) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19456798 0.99 THRB (0.64) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19456783 0.96 THRB (0.64) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19456766 0.96 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17033925 0.96 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19456745 0.96 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17033928 0.96 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19456762 0.94 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL15385974 0.94 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A

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-2017176011-A1 COMPOUND FOR ENCAPSULATING ORGANIC ELECTROLUMINESCENT DEVICE, COMPOSITION, AND ENCAPSULATED DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-10-12 WO disclosed