SCHEMBL18419982

SCHEMBL18419982

C=CC(=O)OCCOC(C)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.57
ALDH1A1 P00352 4/20 0.57
TP53 P04637 3/20 0.57
HIF1A Q16665 3/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 4/20 0.47
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL20193649 0.94 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL32689960 0.86 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1171239 0.86 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28010427 0.84 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL273269 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15459918 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29099373 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18020988 0.82 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28068802 0.82 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3666306 0.81 TSHR (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124560-B1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION TOYO INK SC HOLDINGS CO LTD (JP) 2020-10-07 EP disclosed
US-20170114239-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION TOYO INK SC HOLDINGS CO., LTD. (JP) 2017-04-27 US disclosed
EP-3124560-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK COMPOSITION Toyo Ink SC Holdings Co., Ltd. (JP) 2017-02-01 EP disclosed