SCHEMBL8696199

SCHEMBL8696199

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
SYK P43405 1/20 0.48
PPARA Q07869 2/20 0.46
CTSL P07711 1/20 0.44
MAPT P10636 2/20 0.43
TACR1 P25103 1/20 0.42
PPARG P37231 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL8696194 1.00 CTSS (0.53) CTSSCTSKSYKPPARACTSL
SCHEMBL17713403 0.91 CTSK (0.55) CTSSCTSKSYKPPARACTSL
SCHEMBL17713402 0.91 CTSK (0.55) CTSSCTSKSYKPPARACTSL
SCHEMBL7370522 0.89 CTSK (0.57) CTSSCTSKPPARACTSLPPARG
SCHEMBL8698935 0.89 CTSK (0.57) CTSSCTSKPPARACTSLPPARG
SCHEMBL3881683 0.88 CTSS (0.65) CTSSCTSKSYKPPARACTSL
SCHEMBL8696309 0.88 CTSS (0.65) CTSSCTSKSYKPPARACTSL
SCHEMBL8062883 0.88 CTSS (0.65) CTSSCTSKSYKPPARACTSL
SCHEMBL7491530 0.86 CACNA1B (0.47) CTSSCTSKSYKPPARACTSL
SCHEMBL8699827 0.85 CTSL (0.52) CTSSCTSKCTSL

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-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed