SCHEMBL17513345

SCHEMBL17513345

O=CC(Cc1ccc(Cl)cc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL19378090 1.00 CASP3 (0.48) CASP3EPHX2KMT2AFABP7FABP5
SCHEMBL3123838 0.89 CASP3 (0.51) CASP3EPHX2KMT2AFABP7FABP5
SCHEMBL120613 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL29907877 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL2305506 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL29872206 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL29928500 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL120601 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL30532481 0.84 MDM4 (0.51) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL13132526 0.84 TP53 (0.44) CASP3EPHX2KMT2AMDM4TP53

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-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 — — WO claimed
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