SCHEMBL11385705

SCHEMBL11385705

C=C(C)C(=O)OCCCC.C=CC(=O)OCC(CC)CC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.62
HPGD P15428 1/20 0.57
ATM Q13315 2/20 0.44
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 3/20 0.40
TDP1 Q9NUW8 3/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4901912 0.93 TSHR (0.74) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL9515977 0.91 TSHR (0.61) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL2708767 0.89 TSHR (0.67) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL10797039 0.89 TSHR (0.71) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL1823127 0.89 TSHR (0.71) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL30200835 0.89 TSHR (0.71) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL1448030 0.88 TSHR (0.70) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL10773417 0.88 TSHR (0.66) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL9227581 0.88 TSHR (0.66) TSHRHPGDATMALDH1A1CYP3A4
SCHEMBL6849095 0.87 TSHR (0.69) TSHRHPGDATMALDH1A1CYP3A4

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-4296006-A ACRYLIC POLYMER, FOR ROAD MARKINGS DEGUSSA AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed