SCHEMBL28501209

SCHEMBL28501209

CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ CTSK P43235 7/20 0.41
▸ CTSS P25774 6/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ ACE P12821 1/20 0.39

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
SCHEMBL28501207 1.00 REN (0.47) RENKMT2ACTSKCTSSCTSL
SCHEMBL10788830 1.00 REN (0.47) RENKMT2ACTSKCTSSCTSL
SCHEMBL7536423 0.89 CTSS (0.49) RENCTSKCTSSCTSLCTSB
SCHEMBL7536416 0.89 CTSS (0.49) RENCTSKCTSSCTSLCTSB
SCHEMBL9696051 0.89 FOLH1 (0.48) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL10976677 0.89 FOLH1 (0.48) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL1486176 0.89 PPARA (0.47) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL1001711 0.89 PPARA (0.47) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL1001713 0.89 PPARA (0.47) KMT2ACTSKCTSSCTSLCTSB
SCHEMBL31195265 0.87 CTSS (0.52) RENCTSKCTSSCA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749512-B Preparation method of alanyl glutamine 辰欣药业股份有限公司 2020-11-27 — — CN claimed
CN-106749512-B Preparation method of alanyl glutamine 辰欣药业股份有限公司 2020-11-27 — — CN disclosed
Send feedback