SCHEMBL31199022

SCHEMBL31199022

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MME P08473 3/20 0.40
CYP2D6 P10635 1/20 0.40
MMP1 P03956 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SCN9A Q15858 3/20 0.38
LAP3 P28838 3/20 0.38
CAPN1 P07384 1/20 0.38
ECE1 P42892 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL18575874 0.91 CYP2D6 (0.40) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL31142118 0.91 CYP2D6 (0.40) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL31510082 0.86 FOLH1 (0.43) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL30544617 0.84 ECE1 (0.47) CTSSCTSKCYP2D6ALDH1A1ECE1
SCHEMBL30277775 0.83 DPP4 (0.38) CTSSCTSKCYP2D6ECE1MEN1
SCHEMBL26578687 0.83 GRN (0.39) CTSLCTSBCTSSCTSKCYP2D6
SCHEMBL29550364 0.83 MME (0.42) CTSSCTSKMMECYP2D6PSMB5
SCHEMBL31248103 0.82 MEN1 (0.44) CTSLCTSBCTSSCTSKMAPT
SCHEMBL29877850 0.82 FOLH1 (0.40) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL30740010 0.82 FOLH1 (0.40) SLC7A5CTSLCTSBCTSSCTSK

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-114315971-B Preparation of antibacterial lipopeptide LP21 and application thereof in treatment of bacterial infection 滨州医学院 2024-09-03 CN disclosed