SCHEMBL2789175

SCHEMBL2789175

C=CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
CHRNA7 P36544 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CHRNA10 Q9GZZ6 1/20 0.49
CHRNA9 Q9UGM1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNA3 P22001 1/20 0.46
PPARG P37231 4/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
PPARD Q03181 2/20 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
SCHEMBL2789178 1.00 PPARA (0.49) PPARACHRNA7ALDH1A1CHRNA10CHRNA9
SCHEMBL23269681 0.94 ALDH1A1 (0.55) PPARACHRNA7ALDH1A1CHRNA10CHRNA9
SCHEMBL25867842 0.92 L3MBTL1 (0.51) PPARACHRNA7ALDH1A1CHRNA10CHRNA9
SCHEMBL7587977 0.85 KCNA3 (0.64) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL18936005 0.85 KCNA3 (0.64) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL5053411 0.85 KCNA3 (0.64) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL31281844 0.85 KCNA3 (0.64) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL9684375 0.85 KCNA3 (0.64) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL11323091 0.83 KCNA3 (0.67) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4
SCHEMBL15365357 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1KCNA3HDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8496323-B2 Metastable nanoparticle ink compositions and images made therefrom NORTHWESTERN UNIVERSITY (US) 2013-07-30 US disclosed
US-20100328410-A1 Metastable Nanoparticle Ink Compositions and Images Made Therefrom NORTHWESTERN UNIVERSITY (US) 2010-12-30 US disclosed