SCHEMBL27264689

SCHEMBL27264689

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.41
CPN1 P15169 2/20 0.40
CPB2 Q96IY4 2/20 0.40
CTSS P25774 5/20 0.38
CTSK P43235 5/20 0.38
CTSL P07711 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.36
NR3C2 P08235 1/20 0.36
MDM2 Q00987 1/20 0.36
SLC1A2 P43004 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL31626107 1.00 CTSB (0.41) CTSBCPN1CPB2CTSSCTSK
SCHEMBL27264382 0.93 CPN1 (0.42) CTSBCPN1CPB2CTSSCTSK
SCHEMBL31626010 0.92 CPN1 (0.41) CTSBCPN1CPB2CTSSCTSK
SCHEMBL27264682 0.92 CPN1 (0.41) CTSBCPN1CPB2CTSSCTSK
SCHEMBL27264687 0.90 CPN1 (0.40) CTSBCPN1CPB2CTSSCTSK
SCHEMBL31626139 0.90 CPN1 (0.40) CTSBCPN1CPB2CTSSCTSK
SCHEMBL31626012 0.90 CPN1 (0.40) CTSBCPN1CPB2CTSSCTSK
SCHEMBL27264691 0.90 CPN1 (0.40) CTSBCPN1CPB2CTSSCTSK
SCHEMBL30805194 0.85 CTSB (0.37) CTSBCTSSCTSKCTSLNR3C2
SCHEMBL27263989 0.85 CTSB (0.37) CTSBCTSSCTSKCTSLNR3C2

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