SCHEMBL17522091

SCHEMBL17522091

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20125824 0.86 ALDH1A1 (0.34) TSHRHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL20125863 0.85 POLB (0.33) TSHRHPGD
SCHEMBL20125839 0.83 TSHR (0.33) TSHR
SCHEMBL20125891 0.83 NAAA (0.37) TSHRHPGDALDH1A1THRB
SCHEMBL17522089 0.82 THRB (0.41) TSHRALDH1A1THRB
SCHEMBL23420948 0.81 ALDH1A1 (0.33) TSHRALDH1A1THRB
SCHEMBL20125852 0.81 DNM1 (0.40) TSHRHPGDALDH1A1
SCHEMBL13451143 0.80 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL500266 0.80 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24599186 0.80 TSHR (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725009-B1 POLYMERIZABLE COMPOUND, INK CARTRIDGE CONTAINING INK INCLUDING THE POLYMERIZABLE COMPOUND, INKJET RECORDING APPARATUS USING THE INK CARTRIDGE, AND PRINT FORMED BY INK INCLUDING THE POLYMERIZABLE COMPOUND RICOH CO LTD (JP) 2018-04-25 EP disclosed
US-9267043-B2 Polymerizable compound, ink cartridge containing ink including the polymerizable compound, inkjet recording apparatus using the ink cartridge, and print formed by ink including the polymerizable compound RICOH COMPANY, LTD. (JP) 2016-02-23 US disclosed
US-9267043-B2 Polymerizable compound, ink cartridge containing ink including the polymerizable compound, inkjet recording apparatus using the ink cartridge, and print formed by ink including the polymerizable compound RICOH COMPANY, LTD. (JP) 2016-02-23 US disclosed