SCHEMBL31335977

SCHEMBL31335977

CC(C)c1cc(C(=O)O)c(O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.47
GRM1 Q13255 1/20 0.44
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
ALB P02768 2/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HSP90AA1 P07900 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACMSD Q8TDX5 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
HSP90AB1 P08238 2/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL71656 0.85 MEN1 (0.46) EIF4A3GRM1FABP3FABP4HSP90AA1
SCHEMBL29924059 0.82 HSP90AA1 (0.53) GRM1FABP3FABP4CSNK2A1HSP90AA1
SCHEMBL18677495 0.82 HSP90AA1 (0.53) GRM1FABP3FABP4CSNK2A1HSP90AA1
SCHEMBL16939392 0.81 EIF4A3 (0.50) EIF4A3IKBKETBK1ALBFABP3
SCHEMBL31335818 0.81 CA12 (0.46) EIF4A3HSP90AA1HSP90AB1CA1CA2
SCHEMBL9252960 0.79 GRM1 (0.57) GRM1FABP3FABP4CSNK2A1HSP90AA1
SCHEMBL15631290 0.78 ADRA1A (0.54) EIF4A3MAPTNPSR1CA1CA2
SCHEMBL2551682 0.78 CA1 (0.48) ALBCSNK2A1MEN1KMT2AMAPT
SCHEMBL18671875 0.76 EIF4A3 (0.50) EIF4A3IKBKETBK1FABP3FABP4
SCHEMBL5377474 0.76 GABRA1 (0.45) EIF4A3MAPTNPSR1CA1CA2

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed