SCHEMBL28079992

SCHEMBL28079992

C=C(C)C(=O)OC(C)CCCP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.34
PTAFR P25105 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
FABP3 P05413 1/20 0.34
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
BBOX1 O75936 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL28853369 0.85 SMN1; SMN2 (0.34) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28572562 0.82 FABP3 (0.34) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28853370 0.79 FABP3 (0.45) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL19717894 0.78 CHRM5 (0.43) MAPTSMN1; SMN2BBOX1CHRM5CHRM1
SCHEMBL28062033 0.77 TSHR (0.50) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28055008 0.77 TSHR (0.50) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL27532967 0.77 TSHR (0.50) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL1225864 0.75 SMN1; SMN2 (0.53) ADRA1DPTAFRHTR1DHTR2CADRA1B
Phosphoric Acid SCHEMBL28543880 0.75 CHRM1 (0.37) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL17595251 0.75 FABP3 (0.38) ADRA1DPTAFRHTR1DHTR2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107789677-A A kind of preparation method and application of super-branched polyimide anti-coagulation anti-bacterial material 湖北大学 2018-03-13 CN claimed
CN-106832439-A Novel aerogel multifunctional ready-to-use composite material for whole blood component protection and preparation method thereof 广州市芯检康生物科技有限公司 2017-06-13 CN claimed
CN-110054732-A Surface coating polymerization object, preparation method and application 中山大学 2019-07-26 CN disclosed
CN-108568278-A A kind of novel instant aerogel microball and preparation method thereof 广州市芯检康生物科技有限公司 2018-09-25 CN disclosed
CN-106164244-B Cell mass culture vessel 住友电木株式会社 2017-11-28 CN disclosed
CN-106164244-A Cell mass culture vessel 住友电木株式会社 2016-11-23 CN disclosed
CN-103518149-B Optical element, display device and input unit 迪睿合电子材料有限公司 2016-08-31 CN disclosed