SCHEMBL6988043

SCHEMBL6988043

C=C(C)C(=O)OCCO.C=CC(=O)NC(OC)C(=O)OC.C=CC(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9510240 0.86 ALDH1A1 (0.40) TSHRALDH1A1THRB
Acrylic Acid SCHEMBL6984565 0.85 TSHR (0.35) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL5049197 0.85 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10601730 0.85 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5437346 0.85 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10905162 0.85 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL8983311 0.83 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9443412 0.82 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Methyl Ester SCHEMBL28016237 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10906110 0.82 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM

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
EP-0831365-B1 Imaging element containing an electrically-conductive polymer blend EASTMAN KODAK CO (US) 2003-01-02 EP claimed