SCHEMBL28297445

SCHEMBL28297445

O=C(CC(=O)O[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NPC1 O15118 2/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCAR2 Q8TDS4 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
SCHEMBL28145122 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL294341 0.84 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL8069055 0.82 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL909807 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL27335180 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL27471961 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL9258808 0.79 FFAR1 (0.46) ALDH1A1MAPK1RAB9ATDP1KMT2A
SCHEMBL7012364 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
Nitrous Acid SCHEMBL27978418 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1RAB9ATDP1
SCHEMBL3726102 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1RAB9ATDP1

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-120079160-A Purification device and method for mono-p-nitrobenzyl malonate 富祥(山东)新材料有限公司 2025-06-03 CN claimed
CN-214766968-U Filter equipment is used in production of p nitro benzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-214763387-U Vacuum distillation device is used in production of p-nitrobenzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-214763883-U Multistage screening and purifying equipment for producing p-nitrobenzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN claimed
CN-214766968-U Filter equipment is used in production of p nitro benzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN disclosed
CN-214766968-U Filter equipment is used in production of p nitro benzyl alcohol malonic acid monoester 江西环泰化工有限公司 2021-11-19 CN disclosed
CN-109748800-A A kind of preparation method of pair of nitrobenzyl alcohol 台州昌霖化工科技有限公司 2019-05-14 CN disclosed