SCHEMBL4623928

SCHEMBL4623928

NC(=O)[C@H](CCC(=O)O)N(CCCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PTPN1 P18031 4/20 0.38
OPRD1 P41143 1/20 0.37
FABP7 O15540 2/20 0.36
FABP5 Q01469 2/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL2248824 0.88 KMT2A (0.39) KMT2APTPN1FABP7FABP5CASP3
SCHEMBL2245573 0.88 KMT2A (0.39) KMT2APTPN1FABP7FABP5CASP3
SCHEMBL2251705 0.86 KMT2A (0.42) KMT2APTPN1FABP7FABP5CASP3
SCHEMBL2247795 0.85 KMT2A (0.39) KMT2APTPN1FABP7FABP5SMN1; SMN2
SCHEMBL2252327 0.85 PTPN1 (0.37) KMT2APTPN1FABP7FABP5
SCHEMBL2246665 0.84 KMT2A (0.41) KMT2APTPN1FABP7FABP5CASP3
SCHEMBL2248394 0.84 FABP5 (0.41) KMT2APTPN1FABP7FABP5LMNA
SCHEMBL2251584 0.83 PTPN1 (0.42) KMT2APTPN1FABP5
SCHEMBL2248528 0.82 KMT2A (0.42) KMT2APTPN1FABP7FABP5CASP3
SCHEMBL2244782 0.82 KMT2A (0.42) KMT2APTPN1FABP7FABP5CASP3

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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed