SCHEMBL5497604

SCHEMBL5497604

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
FABP5 Q01469 3/20 0.54
FABP7 O15540 2/20 0.54
EPHX2 P34913 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTR2A P28223 1/20 0.44
CASP3 P42574 2/20 0.42
POLB P06746 1/20 0.42
TNF P01375 1/20 0.41
CYP1A2 P05177 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
SCHEMBL5497609 0.93 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31378081 0.93 KMT2A (0.59) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7262938 0.93 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3623157 0.93 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31419530 0.92 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10261416 0.91 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14759878 0.91 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7036852 0.91 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL47693 0.90 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7263679 0.90 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262169-B1 Process for preparing peptide intermediates MERCK & CO., INC. (US) 2007-08-28 US disclosed
EP-1226158-B1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME (GB) 2003-07-02 EP disclosed
EP-1226158-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LTD. (GB) 2002-07-31 EP disclosed
WO-2001029065-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LIMITED (GB) 2001-04-26 WO disclosed