SCHEMBL31360744

SCHEMBL31360744

CC(=O)N(C)CC12CC(NC(=O)OCc3ccccc3)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CTSB P07858 4/20 0.42
CTSS P25774 4/20 0.42
CTSL P07711 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSK P43235 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL31360816 0.89 CTSL (0.45) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31360840 0.85 SYK (0.43) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL22585249 0.80 LMNA (0.47) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL29899382 0.80 LMNA (0.47) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31443306 0.80 CA12 (0.44) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31360812 0.79 HTT (0.47) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL29409105 0.79 ALDH1A1 (0.50) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31443433 0.79 ALDH1A1 (0.44) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31443359 0.79 CTSL (0.45) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL31360747 0.79 CTSL (0.45) ALDH1A1CTSBCTSSCTSLNPC1

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-4747255-A1 MODULATORS OF THE ADENOSINE A2A AND A2B RECEPTOR Ryvu Therapeutics S.A. (PL) 2026-05-27 EP disclosed
WO-2025018901-A1 MODULATORS OF THE ADENOSINE A2A AND A2B RECEPTOR Ryvu Therapeutics S.A. (PL) 2025-01-23 WO disclosed