SCHEMBL12570588

SCHEMBL12570588

C=CC(=O)OCCN(C)C(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 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
SCHEMBL18364745 0.85 ATM (0.45) HPGDALDH1A1CHRM2CHRM4CHRM5
SCHEMBL8982453 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17522081 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17211582 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28055398 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570580 0.81 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5707610 0.80 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15115 0.80 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17211580 0.80 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28054084 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975707-B1 Curable composition and planographic printing plate precursor FUJIFILM CORP (JP) 2017-07-19 EP disclosed
US-7964334-B2 Mixture containing urea compound as photoinitiator; curing by exposure to laser light FUJIFILM CORPORATION (JP) 2011-06-21 US disclosed
US-7964334-B2 Mixture containing urea compound as photoinitiator; curing by exposure to laser light FUJIFILM CORPORATION (JP) 2011-06-21 US disclosed
US-20080241744-A1 CURABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241744-A1 CURABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-1975707-A1 Curable composition and planographic printing plate precursor Fujifilm Corporation (JP) 2008-10-01 EP disclosed