SCHEMBL27264378

SCHEMBL27264378

Cc1cccc(C(CCCC#N)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSS P25774 2/20 0.41
ACP3 P15309 1/20 0.40
CTSK P43235 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SLC6A9 P48067 1/20 0.39
PTGFR P43088 3/20 0.38
CCKAR P32238 1/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
KIF11 P52732 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
SCHEMBL27263869 0.85 PSEN1 (0.38) CTSLCTSBCTSSACP3CTSK
SCHEMBL30372442 0.85 ACP3 (0.49) CPN1CPB2ACP3PSEN1PSEN2
SCHEMBL5329154 0.83 CYP2C19 (0.47) CPN1CPB2CTSSCTSK
SCHEMBL27264382 0.83 CPN1 (0.42) CPN1CPB2CTSLCTSBCTSS
SCHEMBL499473 0.80 PSEN1 (0.50) CPN1CPB2ACP3PSEN1PSEN2
SCHEMBL14359741 0.80 TBXAS1 (0.44) CPN1CPB2ACP3PSEN1PSEN2
SCHEMBL27266168 0.80 CPB2 (0.46) CPN1CPB2ACP3PSEN1PSEN2
SCHEMBL29116712 0.79 CPN1 (0.46) CPN1CPB2ACP3SLC6A9PTGFR
SCHEMBL27491134 0.79 SLC6A9 (0.45) CPN1CPB2ACP3SLC6A9PTGFR
SCHEMBL31626010 0.79 CPN1 (0.41) CPN1CPB2CTSLCTSBCTSS

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