SCHEMBL13370392

SCHEMBL13370392

CCCC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ FBP1 P09467 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ BRAF P15056 1/20 0.43
▸ MAOB P27338 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL6367735 0.91 ALOX5 (0.47) BCL9CTNNB1FBP1ALDH1A1SMN1; SMN2
SCHEMBL6915911 0.91 FBP1 (0.53) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11798840 0.90 ALDH1A1 (0.50) BCL9CTNNB1FBP1ALDH1A1SMN1; SMN2
SCHEMBL275826 0.88 ALDH1A1 (0.50) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL275825 0.88 ALDH1A1 (0.50) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7820823 0.88 ALDH1A1 (0.50) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11327350 0.83 GLO1 (0.58) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11327355 0.83 GLO1 (0.58) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29024906 0.82 POLB (0.43) FBP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15434532 0.81 FBP1 (0.53) BCL9CTNNB1FBP1ALDH1A1SMN1; 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
EP-2514745-A1 GPR120 receptor agonists and uses thereof Metabolex Inc. (US) 2012-10-24 — — EP disclosed
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