SCHEMBL5457664

SCHEMBL5457664

C=CC(=O)OCC(=C)COC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.52
ALDH1A1 P00352 7/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 3/20 0.38
LMNA P02545 1/20 0.32
FGFR4 P22455 1/20 0.30
ALOX15 P16050 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
SCHEMBL9323591 0.86 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL45652 0.82
SCHEMBL21385368 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14570532 0.81 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL253351 0.80
SCHEMBL2428155 0.80
SCHEMBL16877295 0.80
SCHEMBL12701775 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL301851 0.79
SCHEMBL2850630 0.78 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3193791-A None JP disclosed
US-20070197362-A1 Conductive elastic roller and image forming apparatus comprising the same BRIDGESTONE CORPORATION (JP) 2007-08-23 US disclosed
JP-H03193791-A DI(METH)ACRYLOXYALKYL DERIVATIVE TOSHIBA SILICONE CO LTD 1991-08-23 JP disclosed