SCHEMBL11201682

SCHEMBL11201682

C=C(C)C(=O)OCCCCO.C=CC(=O)OCCOCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 2/20 0.49
THRB P10828 4/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPK1 P28482 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
Tetraethylene Glycol SCHEMBL904572 0.94 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21084614 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28033748 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8067773 0.91 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11242606 0.90 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9102299 0.90 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3274720 0.90 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5835513 0.90 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30738367 0.88 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28328305 0.88 TSHR (0.53) 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-4416974-A Radiation curable ceramic pigment composition HERCULES INCORPORATED (US) 1983-11-22 US disclosed