SCHEMBL31335972

SCHEMBL31335972

COc1cc2c(cc1C(=O)O)C(C)(C)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
PGR P06401 4/20 0.42
RXRA P19793 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CHEK1 O14757 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
MAP3K11 Q16584 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 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
SCHEMBL30035471 0.81 ATAD2 (0.41) LCKFYNPGRRXRAHSD17B10
SCHEMBL23577902 0.81 ATAD2 (0.41) LCKFYNPGRRXRAHSD17B10
SCHEMBL31335591 0.80 ATAD2 (0.42) ALDH1A1KDM4EHPGDPGRRXRA
SCHEMBL30642295 0.80 GRIN2D (0.45) PGRATAD2PDK2PDK4MAP3K11
SCHEMBL31335589 0.80 ATAD2 (0.42) ALDH1A1KDM4EHPGDPGRRXRA
SCHEMBL26640169 0.80 GRIN2D (0.45) PGRATAD2PDK2PDK4MAP3K11
SCHEMBL30459958 0.78 PGR (0.43) KDM4EPGRRXRAATAD2PDK2
SCHEMBL25156363 0.76 MAPK14 (0.46) KDM4EHPGDPGRRXRAHSD17B10
SCHEMBL23590768 0.75 ATAD2 (0.39) KDM4EPGRATAD2PDK2PDK4
SCHEMBL30183994 0.75 ATAD2 (0.39) KDM4EPGRATAD2PDK2PDK4

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