SCHEMBL31180657

SCHEMBL31180657

O=C(O)C1CCn2c1cc(O)cc2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 3/20 0.43
RAC1 P63000 3/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
NPC1 O15118 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRM1 P35372 1/20 0.43
RAB9A P51151 1/20 0.43
PAK1 Q13153 1/20 0.43
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
ABCC4 O15439 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 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
SCHEMBL9580243 0.66 CDC42 (0.49) CDC42RAC1PTGS2PTGS1NPC1
P-Hydroxy Ketorolac SCHEMBL17369576 0.65 PTGS2 (0.79) CDC42RAC1PTGS2PTGS1NPC1
P-Hydroxy Ketorolac SCHEMBL17378052 0.65 PTGS2 (0.79) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL14577657 0.64 PTGS2 (0.76) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11604699 0.64 PTGS2 (0.56) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL10398047 0.64 NPC1 (0.53) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11265451 0.64 CDC42 (0.60) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11603510 0.64 CDC42 (0.60) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL10934380 0.63 CDC42 (0.59) CDC42RAC1PTGS2PTGS1NPC1
SCHEMBL11064934 0.63 CDC42 (0.49) CDC42RAC1PTGS2PTGS1NPC1

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-4720040-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
WO-2024246522-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT LARIO THERAPEUTICS LIMITED (GB) 2024-12-05 WO disclosed