SCHEMBL28215337

SCHEMBL28215337

CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.CCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.83
CTNNB1 P35222 1/20 0.83
MGLL Q99685 2/20 0.62
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL8822087 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL8388580 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL131963 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL13184389 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL7191252 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL135634 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL7754480 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL1916980 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL22531036 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1
SCHEMBL1170899 0.97 BCL9 (0.78) BCL9CTNNB1MGLLKMT2AALDH1A1

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-104630190-B Possesses the pig pancreatic carboxypeptidase A1 of transesterification function and acidproof antiprotease characteristic 天津科技大学 2018-05-22 CN disclosed