SCHEMBL31504604

SCHEMBL31504604

CCC(CC)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
ALOX5 P09917 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 1/20 0.47
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
PTPN11 Q06124 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.43
PTGES O14684 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5708190 0.81 SMN1; SMN2 (0.57) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL9735948 0.81 GAA (0.49) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL14218381 0.80 NPC1 (0.49) NPC1ALOX5SMN1; SMN2CYP3A4PRKCA
SCHEMBL6576584 0.79 ALOX5 (0.58) ALOX5SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL1114367 0.78 NPC1 (0.79) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL54627 0.78 SMN1; SMN2 (0.60) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL11312933 0.78 GAA (0.47) NPC1ALOX5SMN1; SMN2PTPN11GAA
Hydrogen Sulfide SCHEMBL29443442 0.77 SMN1; SMN2 (0.59) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL12078150 0.77 NPC1 (0.55) NPC1ALOX5SMN1; SMN2CYP3A4PTPN11
SCHEMBL8446208 0.76 PRKCA (0.52) PRKCAPRKCDTDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948022-A Process for producing macrolide compounds 卫材R&D管理有限公司 2025-05-06 CN disclosed