SCHEMBL15422957

SCHEMBL15422957

C=CC(=O)OCCOC(=O)CN1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
PIN1 Q13526 1/20 0.42
PIN4 Q9Y237 1/20 0.42
CYP3A4 P08684 1/20 0.42
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL7047458 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10065496 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10065495 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14591385 0.79 GSK3A (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10065490 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17583279 0.78 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8052057 0.77 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10938362 0.74 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10508670 0.73 TSHR (0.80) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10065491 0.71 ALDH1A1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140015906-A1 INK COMPOSTION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-20140015906-A1 INK COMPOSTION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed