SCHEMBL31346758

SCHEMBL31346758

O=C(O)c1ccccc1C(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HTT P42858 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAOB P27338 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CTSD P07339 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 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
SCHEMBL9506104 0.90 ALDH1A1 (0.47) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL1058873 0.84 RAB9A (0.64) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL8673819 0.84 ALDH1A1 (0.47) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL31066902 0.84 ALDH1A1 (0.49) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL4277060 0.84 PPARG (0.55) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL28084232 0.83 ALDH1A1 (0.73) ALDH1A1HTTLMNATSHRL3MBTL1
SCHEMBL602068 0.82 MAOB (0.55) ALDH1A1HTTTSHRMAOBL3MBTL1
SCHEMBL602067 0.82 MAOB (0.55) ALDH1A1HTTTSHRMAOBL3MBTL1
SCHEMBL16343391 0.81 MEN1 (0.46) ALDH1A1HTTMAPTLMNATSHR
SCHEMBL13685790 0.80 MEN1 (0.58) ALDH1A1HTTMAPTLMNATSHR

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-115505058-B Manufacturing process of degradable plastic-stripping packaging material 安徽康采恩包装材料有限公司 2025-01-28 — — CN disclosed
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