SCHEMBL1679779

SCHEMBL1679779

CCC=CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ CASP3 P42574 4/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 1/20 0.40

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
SCHEMBL1276942 1.00 KMT2A (0.46) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1147879 0.89 KMT2A (0.49) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1148009 0.89 KMT2A (0.49) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL1276362 0.89 KMT2A (0.43) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31080872 0.87 KMT2A (0.48) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL27133612 0.87 KMT2A (0.48) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL26966046 0.87 KMT2A (0.48) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL18109404 0.86 KMT2A (0.47) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL15004648 0.86 KMT2A (0.47) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL31080995 0.86 KMT2A (0.47) KMT2ACASP3EPHX2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303920-A2 AMYLOID ß PEPTIDE ANALOGUES, OLIGOMERS THEREOF, PROCESSES FOR PREPARING AND COMPOSITIONS COMPRISING SAID ANALOGUES OR OLIGOMERS, AND THEIR USES Abbott Laboratories (US) 2011-04-06 — — EP disclosed
WO-2010011947-A2 AMYLOID ß PEPTIDE ANALOGUES, OLIGOMERS THEREOF, PROCESSES FOR PREPARING AND COMPOSITIONS COMPRISING SAID ANALOGUES OR OLIGOMERS, AND THEIR USES ABBOTT LABORATORIES (US) 2010-01-28 — — WO disclosed
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