SCHEMBL20207218

SCHEMBL20207218

C=CC(=O)OCCOCCNC(=O)OCCc1ccc(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 2/20 0.35
SLC9A3 P48764 1/20 0.31
TGM2 P21980 1/20 0.31
CYP3A4 P08684 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL3633964 0.86 THRB (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14102322 0.79 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3691364 0.76 THRB (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148422 0.76 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148421 0.76 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12570764 0.76 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13872044 0.76 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21148424 0.76 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20227409 0.75 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10718237 0.72 THRB (0.37) TSHRALDH1A1TP53HIF1AHSD17B10

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-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed