SCHEMBL9704499

SCHEMBL9704499

C=C(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL9322690 0.88 THRB (0.50) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL5098395 0.84 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL21313125 0.84 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL587102 0.84 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1389549 0.84 TSHR (0.54) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1755550 0.83 TSHR (0.59) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL13817390 0.82 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1047543 0.82 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL28747006 0.82 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL75506 0.82 TSHR (0.52) TSHRTHRBALDH1A1TDP1POLB

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-5113000-A Multifunctional, sealers for semiconductors, improved adhesion TOSHIBA SILICONE CO., LTD. (JP) 1992-05-12 US disclosed