SCHEMBL20081682

SCHEMBL20081682

C=CC(=C)NCCOC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 8/20 0.44
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL3818410 0.86 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22813079 0.85 MEN1 (0.42) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL19398187 0.81 TSHR (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2195083 0.81 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12808628 0.81 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL685408 0.81 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16309318 0.81 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21577397 0.81 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL24036478 0.80 TGM2 (0.42) THRBTSHRALDH1A1TDP1
SCHEMBL21496227 0.80 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021108597-A1 THIOPHOSPHATE AND PHOSPHINE SULFIDE DERIVATIZED MONOMERS AND POLYMERS FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed
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