SCHEMBL27805682

SCHEMBL27805682

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
TLR2 O60603 4/20 0.39
CASP3 P42574 1/20 0.37
TNF P01375 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL14717015 0.83 PPARG (0.46) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL6377107 0.80 KMT2A (0.45) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL556888 0.80 KMT2A (0.47) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL557483 0.80 KMT2A (0.47) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL1829604 0.77 FABP5 (0.50) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL1829602 0.77 FABP5 (0.50) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL7198855 0.75 KMT2A (0.44) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL1162471 0.74 KMT2A (0.55) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL18528956 0.74 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3
SCHEMBL2316716 0.74 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3

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
CN-101759601-B Method for preparing chiral alpha-unnatural amino acid by transition metal complex OKEANOS TECH CO LTD 2013-07-24 CN disclosed
CN-101759601-A Method for preparing chiral alpha-unnatural amino acid by transition metal complex OKEANOS TECH CO LTD 2010-06-30 CN disclosed