SCHEMBL8428580

SCHEMBL8428580

CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(O)COCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.65
PPARG P37231 2/20 0.60
CTSS P25774 3/20 0.58
KLK5 Q9Y337 4/20 0.49
KLK7 P49862 2/20 0.49
RAB9A P51151 1/20 0.48
SYK P43405 1/20 0.47
ATM Q13315 1/20 0.47
APP P05067 2/20 0.47
ACE P12821 1/20 0.46
REN P00797 1/20 0.46
CA1 P00915 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 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
SCHEMBL8430071 1.00 PPARA (0.65) PPARAPPARGCTSSKLK5KLK7
SCHEMBL8426035 0.86 PPARA (0.57) PPARAPPARGCTSSKLK5SYK
SCHEMBL6342945 0.84 ATM (0.57) PPARAPPARGCTSSKLK5ATM
SCHEMBL11091464 0.84 ATM (0.57) PPARAPPARGCTSSKLK5ATM
SCHEMBL29117201 0.84 ATM (0.57) PPARAPPARGCTSSKLK5ATM
SCHEMBL3196374 0.84 PPARA (0.61) PPARAPPARGCTSSKLK5KLK7
SCHEMBL7450505 0.83 PPARA (0.60) PPARAPPARGCTSSKLK5KLK7
SCHEMBL828674 0.83 PPARA (0.90) PPARAPPARGCTSSKLK5KLK7
SCHEMBL1132901 0.83 PPARA (0.90) PPARAPPARGCTSSKLK5KLK7
SCHEMBL17051 0.83 PPARA (0.90) PPARAPPARGCTSSKLK5KLK7

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-5962660-A COMPOUND WHICH SUPPRESSES SELECTIN-MEDIATED CELLULAR ADHESION; FOR STABLE ANTIINFLAMMATORY AGENTS WITH BETTER BIOAVAILABILITY AND GREATER ACTIVITY WHICH ARE EASIER TO SYNTHESIZE THE SCRIPPS RESEARCH INSTITUTE (US) 1999-10-05 US disclosed