SCHEMBL5162243

SCHEMBL5162243

C=CC(=O)OCC(CN=C=O)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1132132 0.88 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20719906 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1170956 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27812861 0.80 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20719907 0.79 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20437580 0.79 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10412807 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
Propene SCHEMBL28871904 0.77 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20719910 0.77 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11128372 0.77 CA1 (0.35)

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-0894808-B1 Modified cellulose compound and photopolymerizable resin composition containing the same TOKYO OHKA KOGYO CO LTD (JP) 2007-03-07 EP disclosed
US-6054545-A CELLULOSE MODIFIED WITH CARBOXYLATED ISOCYANATE TOKYO OHKA KOGYO CO., LTD. (JP) 2000-04-25 US disclosed
EP-0894808-A1 Modified cellulose compound and photopolymerizable resin composition containing the same TOKYO OHKA KOGYO CO., LTD. (JP) 1999-02-03 EP disclosed