SCHEMBL31039728

SCHEMBL31039728

O=C(N[C@@H]1CCCN(C2COC2)C1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
EPHX1 P07099 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
DPP4 P27487 5/20 0.50
DPP7 Q9UHL4 5/20 0.50
KCNH2 Q12809 3/20 0.50
HSD11B1 P28845 1/20 0.50
CHRM1 P11229 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F13A1 P00488 2/20 0.46
TGM2 P21980 2/20 0.46
TGM1 P22735 2/20 0.46

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
SCHEMBL31039731 1.00 CTSL (0.57) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL25222224 0.92 CTSL (0.61) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL27922032 0.82 CTSL (0.63) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL3489847 0.81 CTSL (0.62) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL18697562 0.81 CTSL (0.62) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL27922050 0.80 CTSL (0.61) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL27922046 0.80 CTSL (0.61) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL25203367 0.79 HSD11B1 (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL29255622 0.79 CTSL (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL132397 0.79 EPHX1 (0.53) CTSLCTSBCTSKEPHX1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed