SCHEMBL29265401

SCHEMBL29265401

NC(=O)OCCCCCn1cc([N+](=O)[O-])c(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.42
▸ LMNA P02545 2/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ PRSS1 P07477 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ GSTP1 P09211 1/20 0.30
▸ GSTM2 P28161 1/20 0.30

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
SCHEMBL29265377 0.83 ESR1 (0.34) LMNAESR1ALDH1A1L3MBTL1
SCHEMBL29265375 0.75 ALDH1A1 (0.52) GLALMNAALDH1A1L3MBTL1
SCHEMBL27719166 0.74 ALDH1A1 (0.40) LMNAALDH1A1L3MBTL1
SCHEMBL29265376 0.73 TDP1 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL28655118 0.70 ALDH1A1 (0.44) GLALMNAALDH1A1L3MBTL1
SCHEMBL16245561 0.69 ALDH1A1 (0.54) GLALMNAALDH1A1L3MBTL1
SCHEMBL11481725 0.69 GLA (0.33) GLALMNA
SCHEMBL29265244 0.68 ALDH1A1 (0.35) GLALMNAALDH1A1
SCHEMBL11481731 0.68 GLA (0.32) GLALMNAALDH1A1L3MBTL1
SCHEMBL28231830 0.68 CA12 (0.48) GLALMNACA12CA1CA2

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-118176194-A Conjugates comprising covalent binding agents for targeting intracellular proteins 瑞择生物公司 2024-06-11 — — CN disclosed
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