SCHEMBL4612352

SCHEMBL4612352

O=C(O)CCC=CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ CASP3 P42574 4/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ FABP7 O15540 2/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL7408626 0.84 KMT2A (0.49) KMT2ACASP3EPHX2FABP7FABP5
SCHEMBL19358192 0.80 KMT2A (0.59) KMT2ACASP3EPHX2FABP7FABP5
SCHEMBL20825600 0.80 KMT2A (0.56) KMT2ACASP3EPHX2FABP7FABP5
SCHEMBL7399615 0.78 CASP3 (0.51) KMT2ACASP3MDM4TP53
SCHEMBL7394094 0.78 CASP3 (0.51) KMT2ACASP3MDM4TP53
SCHEMBL7401573 0.78 CASP3 (0.51) KMT2ACASP3MDM4TP53
SCHEMBL7399610 0.78 CASP3 (0.51) KMT2ACASP3MDM4TP53
SCHEMBL7394092 0.78 CASP3 (0.51) KMT2ACASP3MDM4TP53
SCHEMBL29423575 0.78 KMT2A (0.81) KMT2ACASP3EPHX2FABP7FABP5
SCHEMBL7267676 0.78 KMT2A (0.56) KMT2ACASP3EPHX2FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984385-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2008-10-29 — — EP disclosed
EP-1984384-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES Monash University (AU) 2008-10-29 — — EP disclosed
EP-1984386-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS Monash University (AU) 2008-10-29 — — EP disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 — — WO disclosed
WO-2007093014-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 — — WO disclosed
WO-2007093013-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS MONASH UNIVERSITY (AU) 2007-08-23 — — WO disclosed
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