SCHEMBL31335591

SCHEMBL31335591

CC1(C)C(=O)Nc2cc(O)c(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PGR P06401 7/20 0.40
MAPK14 Q16539 1/20 0.37
RXRA P19793 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
CSNK2A1 P68400 1/20 0.37
RARB P10826 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35

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
SCHEMBL31335589 1.00 ATAD2 (0.42) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL30035471 0.82 ATAD2 (0.41) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL30459958 0.82 PGR (0.43) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL23577902 0.82 ATAD2 (0.41) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL25156363 0.80 MAPK14 (0.46) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL31335972 0.80 ALDH1A1 (0.44) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL5757053 0.77 ATAD2 (0.46) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL10517587 0.76 ATAD2 (0.45) ATAD2PDK2PDK4PGRMAPK14
Hydrochloric Acid SCHEMBL9559266 0.75 ATAD2 (0.44) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL31335946 0.72 RXRA (0.42) PGRRXRACSNK2A1RARBCA12

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