SCHEMBL5606943

SCHEMBL5606943

C=CC(=O)OCC(C)OCC(C)OCC(C)OCC(C)OC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.56
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 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
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 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
SCHEMBL1255428 0.95 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16805857 0.90 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30633432 0.89 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Propylene Glycol SCHEMBL11660952 0.88 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17851177 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17851171 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17851179 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17851165 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL93458 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17851180 0.87 TSHR (0.63) 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
EP-1539852-B1 FAST DRYING COATINGS VOCFREE INC (US) 2007-05-30 EP claimed