SCHEMBL29024906

SCHEMBL29024906

CN(C)CCCC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ FBP1 P09467 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LSS P48449 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11798840 0.86 ALDH1A1 (0.50) FBP1KMT2AALDH1A1MAPTMEN1
SCHEMBL6367735 0.85 ALOX5 (0.47) HTTFBP1KMT2AALDH1A1MAPT
SCHEMBL6915911 0.84 FBP1 (0.53) FBP1KMT2AALDH1A1MAPTMEN1
SCHEMBL13370392 0.82 BCL9 (0.50) POLBHTTFBP1KMT2AALDH1A1
SCHEMBL7820823 0.79 ALDH1A1 (0.50) FBP1KMT2AALDH1A1MAPTMEN1
SCHEMBL275826 0.79 ALDH1A1 (0.50) FBP1KMT2AALDH1A1MAPTMEN1
SCHEMBL275825 0.79 ALDH1A1 (0.50) FBP1KMT2AALDH1A1MAPTMEN1
SCHEMBL9354466 0.77 CYP3A4 (0.53) ALDH1A1SMN1; SMN2RECQLTDP1KDM4E
SCHEMBL8158364 0.76 TDP1 (0.39) POLBHTTFBP1KMT2AALDH1A1
Oxalic Acid SCHEMBL11231251 0.74 KCNH2 (0.59) POLBHTTKMT2AMEN1

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-116354993-A Reactive Oxygen Species (ROS) responsive cations and their use in siRNA delivery 中国科学院合肥物质科学研究院 2023-06-30 — — CN disclosed
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