SCHEMBL16103702

SCHEMBL16103702

NC(=O)CCC[C@H](N)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
SLC1A1 P43005 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SPHK1 Q9NYA1 1/20 0.48
MMP8 P22894 2/20 0.48
EGFR P00533 2/20 0.47
SRC P12931 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL13151621 1.00 MMP2 (0.52) MMP2SLC1A1GAAKMT2AMEN1
SCHEMBL10098521 0.92 SLC1A1 (0.51) MMP2SLC1A1GAAKMT2AMEN1
SCHEMBL16103221 0.92 SLC1A1 (0.51) MMP2SLC1A1GAAKMT2AMEN1
SCHEMBL9275540 0.86 MMP2 (0.64) MMP2SLC1A1GAAKMT2ASPHK1
SCHEMBL8526418 0.86 MMP2 (0.64) MMP2SLC1A1GAAKMT2ASPHK1
SCHEMBL7272130 0.85 SPHK1 (0.61) MMP2KMT2ASPHK1L3MBTL1
SCHEMBL3907033 0.85 MMP2 (0.71) MMP2SPHK1MMP8EGFRSRC
SCHEMBL8691002 0.85 MMP2 (0.71) MMP2SPHK1MMP8EGFRSRC
SCHEMBL16150370 0.85 MMP2 (0.56) MMP2SLC1A1GAAKMT2ASPHK1
SCHEMBL16150371 0.85 MMP2 (0.56) MMP2SLC1A1GAAKMT2ASPHK1

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
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed