SCHEMBL8724186

SCHEMBL8724186

COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.53
PPARA Q07869 3/20 0.50
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
CTSK P43235 3/20 0.47
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
REN P00797 2/20 0.46
PPARG P37231 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 1/20 0.45
CACNA1B Q00975 3/20 0.44
ACE P12821 1/20 0.44
RAB9A P51151 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
SCHEMBL22300883 0.94 CTSS (0.53) CTSSPPARATLR2TLR1CTSK
SCHEMBL17347936 0.94 CTSS (0.53) CTSSPPARATLR2TLR1CTSK
SCHEMBL3817109 0.92 PPARA (0.55) CTSSPPARATLR2TLR1CTSK
SCHEMBL1517760 0.92 PPARA (0.55) CTSSPPARATLR2TLR1CTSK
SCHEMBL23335315 0.91 KLK7 (0.54) CTSSPPARATLR2TLR1CTSK
SCHEMBL23335508 0.91 KLK7 (0.54) CTSSPPARATLR2TLR1CTSK
SCHEMBL8432480 0.91 CTSS (0.48) CTSSPPARATLR2TLR1CTSK
SCHEMBL8138593 0.90 CTSS (0.59) CTSSPPARACTSKKLK7KLK5
SCHEMBL23463314 0.90 ACE (0.52) CTSSPPARATLR2TLR1CTSK
SCHEMBL22300308 0.90 ACE (0.52) CTSSPPARATLR2TLR1CTSK

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed