SCHEMBL9681045

SCHEMBL9681045

C=C(C)C(=O)OCCCOCC.C=CC(=O)OCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
HPGD P15428 1/20 0.55
THRB P10828 2/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
HCAR2 Q8TDS4 2/20 0.43
CES2 O00748 1/20 0.41
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.38
PLA2G2C Q5R387 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9242062 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL18439038 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL7198242 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL9624268 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL9517492 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL8425793 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL12469797 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL6887082 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL9361594 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL10683838 0.92 TSHR (0.77) TSHRHPGDTHRBALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463412-A1 Magnetic colored encapsulated toner compositions XEROX CORPORATION (US) 1992-01-02 EP disclosed
US-5023159-A Encapsulated electrophotographic toner compositions XEROX CORPORATION (US) 1991-06-11 US disclosed