SCHEMBL27264687

SCHEMBL27264687

N#CCCCCCC(C(=O)O)c1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.40
CPB2 Q96IY4 2/20 0.40
CTSB P07858 2/20 0.39
TBXAS1 P24557 2/20 0.39
F10 P00742 1/20 0.36
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FOLH1 Q04609 3/20 0.34
GRM4 Q14833 1/20 0.34
MDM2 Q00987 1/20 0.34
AMPD2 Q01433 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL27264691 1.00 CPN1 (0.40) CPN1CPB2CTSBTBXAS1F10
SCHEMBL31626139 1.00 CPN1 (0.40) CPN1CPB2CTSBTBXAS1F10
SCHEMBL31626012 1.00 CPN1 (0.40) CPN1CPB2CTSBTBXAS1F10
SCHEMBL31626010 0.99 CPN1 (0.41) CPN1CPB2CTSBTBXAS1F10
SCHEMBL27264682 0.99 CPN1 (0.41) CPN1CPB2CTSBTBXAS1F10
SCHEMBL27264382 0.94 CPN1 (0.42) CPN1CPB2CTSBTBXAS1F10
SCHEMBL31626107 0.90 CTSB (0.41) CPN1CPB2CTSBF10CTSL
SCHEMBL27264689 0.90 CTSB (0.41) CPN1CPB2CTSBF10CTSL
SCHEMBL31626106 0.86 CTSB (0.35) CPN1CPB2CTSBCTSLCTSS
SCHEMBL30805312 0.86 CTSB (0.35) CPN1CPB2CTSBCTSLCTSS

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-2024054845-A1 MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed