SCHEMBL17285776

SCHEMBL17285776

C=CCOC(=O)N[C@@H](CCC(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)OCC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TGM2 P21980 1/20 0.44
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL20504172 0.94 TGM2 (0.51) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL20504173 0.94 TGM2 (0.51) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL5572191 0.87 HTR2A (0.50) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL4461467 0.87 HTR2A (0.50) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL17285791 0.82 ALDH1A1 (0.52) HTR2AALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20504205 0.81 ALDH1A1 (0.45) HTR2AALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20504206 0.81 ALDH1A1 (0.45) HTR2AALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL20503306 0.80 PPARA (0.51) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL20503305 0.80 PPARA (0.51) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL21000133 0.79 HTR2A (0.53) HTR2AALDH1A1MAPK1L3MBTL1TGM2

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
WO-2015178265-A1 NOVEL GLUTAMIC ACID DERIVATIVE AND USE THEREOF 日本化薬株式会社 2015-11-26 — — WO disclosed
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