SCHEMBL6754394

SCHEMBL6754394

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
THRB P10828 5/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 3/20 0.34
HCAR2 Q8TDS4 1/20 0.34
THRA P10827 2/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 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
SCHEMBL51558 0.95 TSHR (0.56) TSHRHPGDTHRBATMALDH1A1
SCHEMBL9447790 0.90 TSHR (0.43) TSHRHPGDTHRBATMALDH1A1
SCHEMBL28025837 0.90 TSHR (0.50) TSHRHPGDTHRBATMALDH1A1
SCHEMBL11743891 0.89 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL10584690 0.89 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL21381448 0.89 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL10718051 0.89 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL2037179 0.89 TSHR (0.49) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL147629 0.88 TSHR (0.45) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL648612 0.87 TSHR (0.51) TSHRHPGDTHRBATMALDH1A1

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-20040092659-A1 Amphipathic polymer particles and methods of manufacturing the same GANAPATHIAPPAN SIVAPACKIA (US) 2004-05-13 US disclosed