SCHEMBL3175239

SCHEMBL3175239

C=CC(=O)OC(C)COCCOCCOCC(C)OC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13449231 0.98 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30544446 0.93 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6667894 0.93 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12358336 0.91 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1599728 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4070074 0.89 TDP1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6423299 0.89 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6423789 0.86 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12354752 0.85 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6419718 0.85 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10

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-20100009170-A1 Conductive Floor Covering ARMSTRONG DLW AG 2010-01-14 US disclosed