SCHEMBL14836232

SCHEMBL14836232

CCCCCCCCCCCCCCCCN(CCc1ccc(O)c(O)c1)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD5 P21918 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ TRPV1 Q8NER1 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL7197779 0.75 HSD17B10 (0.52) HSD17B10CYP3A4CYP2D6DRD2TSHR
SCHEMBL70343 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL10352944 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL11721061 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL11616856 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL7761737 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL68207 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL2782711 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL9447274 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1
SCHEMBL38660230 0.75 IGF1R (0.76) HSD17B10CYP3A4HIF1AKDM4ETRPV1

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
CN-109983080-A The ligand substituting method of surfaces of metal nanoparticles 维也纳农业大学 2019-07-05 — — CN disclosed
EP-2575896-A2 MAGNETICALLY RESPONSIVE MEMBRANE STRUCTURES Reimhult, Erik (AT) 2013-04-10 — — EP disclosed
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