SCHEMBL28023702

SCHEMBL28023702

C=CC(=O)OC(C)C(O)CN(CC(=O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
THRA P10827 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL14409178 0.77 THRB (0.40) THRBTDP1POLBALDH1A1TSHR
SCHEMBL17075258 0.75 ALDH1A1 (0.41) TDP1POLBAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL5189137 0.73 ALDH1A1 (0.42) TDP1ALDH1A1GLATSHRLMNA
SCHEMBL28496696 0.72 THRB (0.50) THRBLMNAABCB1MAPT
SCHEMBL16858009 0.71 TDP1 (0.42) TDP1POLBALDH1A1GLATSHR
SCHEMBL25398188 0.71 ALDH1A1 (0.35) TDP1ALDH1A1GLATSHRLMNA
SCHEMBL27736688 0.70 THRB (0.38) THRBALDH1A1TSHRLMNATP53
SCHEMBL21314243 0.70 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL14135507 0.70 ALDH1A1 (0.41) THRBALDH1A1GLATSHRLMNA
SCHEMBL8857470 0.69 ALDH1A1 (0.39) THRBALDH1A1GLATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108348402-A Polymerizable composition based on thermally cleavable compounds 义获嘉伟瓦登特公司 2018-07-31 CN claimed
CN-103930085-B Dental material based on the compound with on-demand unsticking characteristic 义获嘉伟瓦登特公司 2016-09-07 CN claimed
CN-106963656-B Block composite material for dental cutting having fiber-containing material with multilayer structure having different transparency 株式会社松风 2022-02-22 CN disclosed
CN-107033285-B Multilayer resin material for dental cutting 株式会社松风 2020-10-30 CN disclosed
CN-107266490-B Acid hybrid monomers and dental material based on it 义获嘉伟瓦登特公司 2019-07-02 CN disclosed
CN-109661410-A Polymerisable compound containing acyl group tin photoinitiator 义获嘉伟瓦登特公司 2019-04-19 CN disclosed
CN-108137727-A Acyl group germanium photoinitiator and preparation method thereof 义获嘉伟瓦登特公司 2018-06-08 CN disclosed
CN-105338947-B dental material based on monomers containing urea groups 义获嘉伟瓦登特公司 2018-06-01 CN disclosed
CN-107033285-A Multilayer dental machining resin material 株式会社松风 2017-08-11 CN disclosed
CN-106963656-A The dentistry machining block composite material of fibre with the different sandwich construction of the transparency 株式会社松风 2017-07-21 CN disclosed
CN-106132380-A Photopolymerizable dual-cure dental materials based on thiourea derivatives 义获嘉伟瓦登特公司 2016-11-16 CN disclosed
CN-106132381-A Monomer mixture for producing dental materials 义获嘉伟瓦登特公司 2016-11-16 CN disclosed
CN-103459003-B Spiral separation membrane element and manufacture method thereof TORAY INDUSTRIES, INC. (JP) 2016-04-06 CN disclosed
CN-105338947-A Dental material based on monomers containing urea groups IVOCLAR VIVADENT AG 2016-02-17 CN disclosed
CN-103338846-B Separation membrane for water treatment and manufacture method thereof TORAY INDUSTRIES, INC. (JP) 2015-07-29 CN disclosed