SCHEMBL30452939

SCHEMBL30452939

CCCCC=CC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.58
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL29280302 0.95 MGLL (0.60) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL7778091 0.85 MGLL (0.55) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL7778092 0.85 MGLL (0.55) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL27671991 0.81 BCL9 (0.53) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL29257479 0.80 MAOB (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAOB
SCHEMBL956911 0.80 GAA (0.61) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL4661270 0.80 GAA (0.61) MGLLBCL9CTNNB1GAAKMT2A
SCHEMBL10954131 0.79 ZDHHC2 (0.57) KMT2AMAPTPTGS2FAAHALDH1A1
SCHEMBL1885125 0.79 ZDHHC2 (0.57) KMT2AMAPTPTGS2FAAHALDH1A1
SCHEMBL11761431 0.79 BCL9 (0.67) MGLLBCL9CTNNB1KMT2ASMN1; SMN2

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-116272256-A Method and device for collecting tobacco fragrance in redried tobacco tail gas 云南烟叶复烤有限责任公司 2023-06-23 — — CN disclosed
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