SCHEMBL28865015

SCHEMBL28865015

CC=CC(=O)OCCOCCOCCCCCCCCOCCOCCOC(=O)C=CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.42
THRB P10828 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSTP1 P09211 1/20 0.35
APP P05067 3/20 0.35
CES2 O00748 1/20 0.34
HPGD P15428 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
SCHEMBL9627582 0.94 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30849896 0.92 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1637673 0.92 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31593156 0.89 ATM (0.62) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11243556 0.88 ATM (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20875241 0.87 ATM (0.58) TSHRALDH1A1HCAR2ATMCYP3A4
SCHEMBL28872434 0.87 ATM (0.58) TSHRALDH1A1HCAR2ATMCYP3A4
SCHEMBL3158164 0.87 ATM (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20368914 0.85 HCAR2 (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8669692 0.85 ATM (0.60) TSHRALDH1A1HCAR2ATMCYP3A4

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed