SCHEMBL29662829

SCHEMBL29662829

O=C(N[C@@H](CC1CC1)C(=O)O)OCc1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
CTSL P07711 4/20 0.42
CTSB P07858 4/20 0.42
CTSK P43235 3/20 0.42
CTSS P25774 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
AGTR2 P50052 1/20 0.39
ITGAV P06756 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL29616587 0.89 TGM2 (0.46) TGM2CTSLCTSBCTSKCTSS
SCHEMBL1440950 0.82 IDO1 (0.59) CTSLCTSBCTSKCTSSIDO1
SCHEMBL6897897 0.82 IDO1 (0.59) CTSLCTSBCTSKCTSSIDO1
SCHEMBL1440952 0.82 IDO1 (0.59) CTSLCTSBCTSKCTSSIDO1
SCHEMBL25282430 0.77 CTSK (0.65) CTSLCTSBCTSKCTSSIDO1
SCHEMBL15649121 0.77 CTSK (0.62) CTSLCTSBCTSKCTSSIDO1
SCHEMBL22122405 0.77 CTSK (0.62) CTSLCTSBCTSKCTSSIDO1
SCHEMBL25282429 0.77 CTSK (0.65) CTSLCTSBCTSKCTSSIDO1
SCHEMBL4622697 0.76 CTSK (0.67) CTSLCTSBCTSKCTSSIDO1
SCHEMBL4800376 0.76 CTSK (0.67) CTSLCTSBCTSKCTSSIDO1

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
WO-2022109363-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-05-27 WO disclosed