SCHEMBL30804341

SCHEMBL30804341

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.53
▸ ACE P12821 5/20 0.53
▸ CPA1 P15085 5/20 0.53
▸ ACE2 Q9BYF1 5/20 0.53
▸ CASP3 P42574 3/20 0.51
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL16328968 0.91 CASP3 (0.61) CASP3MDM4TP53MEN1KMT2A
SCHEMBL30656185 0.90 CASP3 (0.51) CASP3CTSB
SCHEMBL29462654 0.90 CASP3 (0.55) CASP3CTSLCTSBCTSSMDM4
SCHEMBL29800166 0.90 CASP3 (0.53) CASP3CTSLCTSSMDM4TP53
SCHEMBL30804340 0.90 CASP3 (0.48) CASP3CTSLCTSBCTSSMEN1
SCHEMBL29693009 0.89 CASP3 (0.59) CASP3MDM4TP53KMT2A
SCHEMBL29706223 0.89 CASP3 (0.52) CASP3CTSLCTSBCTSSMDM4
SCHEMBL31564904 0.89 PTPN1 (0.56) CASP3CTSB
SCHEMBL29722079 0.88 PTPN1 (0.49) MMEMDM4TP53KMT2A
SCHEMBL30582698 0.88 CASP3 (0.54) CASP3CTSLCTSBCTSSMDM4

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
CN-117700477-A Method for synthesizing oligopeptide compound by utilizing trimethylsilyl compound 杭州澳赛诺生物科技有限公司 2024-03-15 — — CN disclosed
Send feedback