SCHEMBL8430677

SCHEMBL8430677

CNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
CTSS P25774 4/20 0.48
CTSK P43235 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.47
PSMB5 P28074 1/20 0.47
REN P00797 2/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
SYK P43405 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL8431707 1.00 PPARA (0.49) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8430410 1.00 PPARA (0.49) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8430408 1.00 PPARA (0.49) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8640881 1.00 PPARA (0.49) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8431546 0.94 PPARA (0.55) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8430542 0.94 PPARA (0.55) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8432480 0.92 CTSS (0.48) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8432912 0.91 PPARA (0.48) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8434087 0.90 PPARA (0.60) PPARACTSSCTSKMEN1ALDH1A1
SCHEMBL8432283 0.90 PPARA (0.60) PPARACTSSCTSKMEN1ALDH1A1

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
US-5919769-A ANTIINFLAMMATORY AGENT KANEBO, LTD (JP) 1999-07-06 US disclosed
EP-0859005-A1 FUCOSE DERIVATIVES, DRUGS CONTAINING THE SAME AS ACTIVE INGREDIENT, AND INTERMEDIATES FOR PRODUCING THE SAME KANEBO, LTD. (JP) 1998-08-19 EP disclosed