SCHEMBL5257610

SCHEMBL5257610

C=CC(=O)Nc1ccc(C[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.42
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ F13A1 P00488 2/20 0.39
▸ TGM1 P22735 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TGM3 Q08188 1/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA4 P22748 3/20 0.38
▸ FGFR1 P11362 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33

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
SCHEMBL9342191 0.84 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL9750004 0.84 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL3991912 0.80 TGM2 (0.43) TGM2THRATHRBF13A1TGM1
SCHEMBL5259060 0.80 TGM2 (0.43) TGM2THRATHRBF13A1TGM1
SCHEMBL21723688 0.80 CA1 (0.45) CA1CA2CA12CA9CA4
SCHEMBL7598191 0.79 SLC7A5 (0.44) LMNACA1CA2CA12CA9
SCHEMBL7596061 0.79 CYP1A2 (0.43) LMNACA1CA2FOLH1
SCHEMBL29588115 0.79 CYP1A2 (0.43) LMNACA1CA2FOLH1
SCHEMBL9435308 0.78 TDP1 (0.39) LMNACA1CA2CA12CA9
SCHEMBL5252487 0.78 TDP1 (0.39) LMNACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789087-A2 ENGINEERED ANTIBODY FRAGMENT THAT IRREVERSIBLY BINDS AN ANTIGEN The Regents of the University of California (US) 2007-05-30 — — EP disclosed
WO-2007058725-A2 ENGINEERED ANTIBODY FRAGMENT THAT IRREVERSIBLY BINDS AN ANTIGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — WO disclosed
WO-2006033742-A2 ENGINEERED ANTIBODY FRAGMENT THAT IRREVERSIBLY BINDS AN ANTIGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-30 — — WO disclosed
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