SCHEMBL4059305

SCHEMBL4059305

C=CC(=O)OC(C)COC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.35
ALDH1A1 P00352 6/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
NAAA Q02083 1/20 0.32
PRKCA P17252 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL1151186 0.87 TSHR (0.55) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL7761807 0.87 TSHR (0.55) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL13397834 0.86 TSHR (0.63) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL30589890 0.85 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.85 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21444212 0.84 TSHR (0.53) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL23647296 0.84 TSHR (0.52) TSHRMAPTALDH1A1CYP3A4PRKCA
SCHEMBL7761789 0.84 TSHR (0.52) TSHRHPGDMAPTALDH1A1CYP3A4
SCHEMBL27245506 0.83 TSHR (0.47) TSHRHPGDMAPTALDH1A1TP53
Ethylene SCHEMBL8565034 0.83 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A

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-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO disclosed