SCHEMBL28036073

SCHEMBL28036073

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TLR2 O60603 4/20 0.46
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL524545 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL524835 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3426738 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3976225 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL525558 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL25144 0.99 KMT2A (0.49) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL97613 0.95 KMT2A (0.50) KMT2ATLR2FABP5FABP7CA1
Succinic Acid SCHEMBL28760118 0.94 KMT2A (0.50) KMT2ATLR2FABP5FABP7HDAC1
Tetrahydrofuran SCHEMBL28301142 0.91 KMT2A (0.43) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL31658990 0.90 KMT2A (0.44) KMT2ATLR2FABP5FABP7HDAC1

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
CN-104987383-A GLP-1 derivate SICHUAN BAILI PHARMACEUTICAL CO LTD 2015-10-21 CN disclosed