SCHEMBL12294697

SCHEMBL12294697

CC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSK P43235 3/20 0.44
ACE P12821 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
TACR1 P25103 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL2263756 0.89 ACE (0.52) CTSSCTSKACEPPARAPPARG
SCHEMBL1055585 0.89 ACE (0.52) CTSSCTSKACEPPARAPPARG
SCHEMBL23375845 0.88 KLK5 (0.47) CTSSCTSKACEPPARACTSL
SCHEMBL28569264 0.88 KLK5 (0.47) CTSSCTSKACEPPARACTSL
SCHEMBL13316851 0.86 CTSS (0.40) CTSSCTSKACEPPARAPPARG
SCHEMBL18257879 0.83 CA1 (0.41) CTSSCTSKMAP1LC3BMAP1LC3ATACR1
SCHEMBL10421355 0.83 CTSS (0.47) CTSSCTSKACEPPARACTSL
SCHEMBL10421354 0.83 CTSS (0.47) CTSSCTSKACEPPARACTSL
SCHEMBL23192536 0.82 NPY4R (0.44)
SCHEMBL25469278 0.82 CTSK (0.44) CTSSCTSKMAPTTACR1

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-2011104649-A1 PEPTIDE ANALOGUES PFIZER LIMITED (GB) 2011-09-01 WO disclosed