SCHEMBL8699428

SCHEMBL8699428

C=CCOC(=O)[C@@H](CCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.60
CTSS P25774 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.51
CASP1 P29466 6/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
ACE P12821 1/20 0.47
SCN9A Q15858 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL30058761 0.90 SMN1; SMN2 (0.50) CTSKCTSSSMN1; SMN2CASP1PPARA
SCHEMBL31360771 0.86 SMN1; SMN2 (0.49) CTSKCTSSSMN1; SMN2CASP1CTSL
SCHEMBL3881683 0.85 CTSS (0.65) CTSKCTSSCTSLCTSBPPARA
SCHEMBL8696309 0.85 CTSS (0.65) CTSKCTSSCTSLCTSBPPARA
SCHEMBL8062883 0.85 CTSS (0.65) CTSKCTSSCTSLCTSBPPARA
SCHEMBL6344320 0.85 CTSK (0.68) CTSKCTSSCTSLCTSBPPARA
SCHEMBL12560624 0.85 CTSK (0.68) CTSKCTSSCTSLCTSBPPARA
SCHEMBL7032329 0.85 CTSK (0.68) CTSKCTSSCTSLCTSBPPARA
SCHEMBL13205578 0.84 CASP1 (0.57) CTSKSMN1; SMN2CASP1CTSLCTSB
SCHEMBL18653898 0.84 CTSK (0.64) CTSKCTSSCTSLCTSBPPARA

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