SCHEMBL8997902

SCHEMBL8997902

C=CC(=O)OC[CH]CCO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.34
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL20183950 0.84 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5157984 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28022196 0.82
Ethylene Glycol SCHEMBL6708081 0.77 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene Glycol SCHEMBL231578 0.76 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene Glycol SCHEMBL8030753 0.76 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10766534 0.76
SCHEMBL28125684 0.75 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19273 0.74
SCHEMBL31267242 0.74 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452656-B1 Photosensitive polymer composition for water developable flexographic printing plate TORAY INDUSTRIES (JP) 1996-09-04 EP disclosed
US-5238783-A PHOTOSENSITIVE POLYMER COMPOSITION FOR WATER DEVELOPABLE FLEXOGRAPHIC PRINTING PLATE TORAY INDUSTRIES, INC. (JP) 1993-08-24 US disclosed
EP-0452656-A2 Photosensitive polymer composition for water developable flexographic printing plate TORAY INDUSTRIES, INC. (JP) 1991-10-23 EP disclosed