SCHEMBL16634782

SCHEMBL16634782

C[C@@H](OCc1ccccc1)[C@](N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
KMT2A Q03164 3/20 0.43
EPHX2 P34913 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTPN1 P18031 2/20 0.38
TNF P01375 1/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL29019477 0.85 KMT2A (0.46) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL27944082 0.85 KMT2A (0.46) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL30683563 0.85 KMT2A (0.46) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL29089883 0.85 KMT2A (0.46) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL29019478 0.84 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL4460611 0.84 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL27587692 0.83 KMT2A (0.45) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL27587689 0.83 KMT2A (0.45) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL30620282 0.81 KMT2A (0.43) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL18286344 0.81 KMT2A (0.43) FABP5FABP7KMT2AEPHX2CASP3

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
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 WO disclosed