SCHEMBL18614232

SCHEMBL18614232

CCC(CC)C(N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
CASP3 P42574 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.39
MDM4 O15151 2/20 0.39
TP53 P04637 2/20 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
SCHEMBL27519548 0.89 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1
SCHEMBL30620282 0.89 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27519549 0.89 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1
SCHEMBL29019477 0.87 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL29089883 0.87 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL30683563 0.87 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27944082 0.87 KMT2A (0.46) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27587692 0.86 KMT2A (0.45) KMT2AFABP5FABP7CASP3CA1
SCHEMBL27587689 0.86 KMT2A (0.45) KMT2AFABP5FABP7CASP3CA1
SCHEMBL18286344 0.84 KMT2A (0.43) KMT2AFABP5FABP7CASP3CA1

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-2017044899-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2017-03-16 WO disclosed