SCHEMBL28033979

SCHEMBL28033979

CCCC(=O)OOc1ccc(C(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 6/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAOB P27338 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL12897966 0.78 MAPT (0.57) L3MBTL1ALDH1A1TDP1MAPTLMNA
SCHEMBL27606887 0.76 BCL9 (0.72) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL1632528 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNAHPGDAKR1C3
SCHEMBL27606934 0.75 BCL9 (0.54) BCL9CTNNB1ALDH1A1MAPTLMNA
SCHEMBL2325339 0.74 MAPT (0.53) ALDH1A1TDP1MAPTLMNAHPGD
SCHEMBL4076672 0.73 ALDH1A1 (0.46) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL260287 0.72 AKR1C3 (0.41) ALDH1A1MAPTLMNAHPGDAKR1C3
SCHEMBL28772952 0.72 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL28446845 0.70 BCL9 (0.62) BCL9CTNNB1L3MBTL1ALDH1A1TDP1
SCHEMBL22065493 0.70 AKR1C3 (0.39) ALDH1A1TDP1MAPTLMNAHPGD

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-102264697-B Biosynthetically generated pyrroline-carboxy-lysine and site-specific protein modification by chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues IRM LLC (BM) 2015-09-09 CN disclosed