SCHEMBL28604145

SCHEMBL28604145

COC(=O)c1cc(O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
CHEK1 O14757 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL31430540 0.94 PDGFRB (0.48) HTTPOLBCHEK1GAATDP1
SCHEMBL1013315 0.88 POLB (0.50) HTTPOLBTDP1CYP3A4L3MBTL1
SCHEMBL9490047 0.87 PDGFRB (0.52) POLBGAATDP1L3MBTL1PDGFRB
SCHEMBL12190692 0.84 PDGFRB (0.51) HTTPOLBCHEK1GAATDP1
SCHEMBL8902175 0.84 CHEK1 (0.51) HTTPOLBCHEK1GAATDP1
SCHEMBL2899450 0.84 POLB (0.52) HTTPOLBCHEK1GAATDP1
SCHEMBL9793659 0.83 GAA (0.55) HTTPOLBCHEK1GAATDP1
SCHEMBL29160276 0.83 L3MBTL1 (0.47) HTTPOLBCHEK1GAACYP3A4
SCHEMBL15823736 0.83 POLB (0.46) HTTPOLBCHEK1GAATDP1
SCHEMBL20594284 0.83 PDGFRB (0.59) GAATDP1NPC1PDGFRBFGFR1

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-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
CN-113226310-A 15-PGDH inhibitors 杏林制药株式会社 2021-08-06 CN disclosed