SCHEMBL19456754

SCHEMBL19456754

C=CC(=O)OCCC(C)Oc1cccc(OC(C)COC(=O)C=C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
THRB P10828 2/20 0.47
MTNR1A P48039 9/20 0.39
MTNR1B P49286 9/20 0.39
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19456755 0.93 TSHR (0.43) TSHRTHRBMTNR1AMTNR1BALDH1A1
SCHEMBL181493 0.83 TSHR (0.56) TSHRTHRBMTNR1AMTNR1BALDH1A1
SCHEMBL31440218 0.77 ELANE (0.48) THRBLMNA
SCHEMBL10033245 0.76 MAPT (0.52) TSHRTHRBMTNR1AMTNR1BHSD17B10
SCHEMBL28483793 0.75 THRB (0.46) THRBALDH1A1LMNATDP1
SCHEMBL13368723 0.74 THRB (0.51) TSHRTHRBMTNR1AMTNR1BALDH1A1
SCHEMBL19456794 0.73 THRB (0.52) TSHRTHRBMTNR1AMTNR1BHPGD
SCHEMBL15307550 0.73 TSHR (0.50) TSHRTHRBMTNR1AMTNR1BHPGD
SCHEMBL9633402 0.72 THRB (0.78) TSHRTHRBMTNR1AMTNR1BHPGD
SCHEMBL4651424 0.72 TSHR (0.49) TSHRTHRBMTNR1AMTNR1BHPGD

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