SCHEMBL7202664

SCHEMBL7202664

O=C(O)[C@H]1[C@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.52
FABP7 O15540 2/20 0.52
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MDM4 O15151 2/20 0.36
TP53 P04637 2/20 0.36
CASP3 P42574 2/20 0.36
AGTR2 P50052 1/20 0.35
OPRD1 P41143 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
SCHEMBL1827945 1.00 FABP5 (0.52) FABP5FABP7KMT2AEPHX2TLR2
SCHEMBL7202660 1.00 FABP5 (0.52) FABP5FABP7KMT2AEPHX2TLR2
SCHEMBL1675974 0.88 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL1675971 0.88 FABP5 (0.50) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL24633596 0.84 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL30686140 0.84 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL30686129 0.84 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL24633693 0.84 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL8430197 0.82 FABP5 (0.46) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL30422389 0.81 FABP5 (0.45) FABP5FABP7KMT2AEPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050248-A1 Novel amino acid and peptide inhibitors of Staphylococcus virulence PANORAMA RESEARCH, INC. 2003-03-13 US disclosed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP disclosed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO disclosed