SCHEMBL25980663

SCHEMBL25980663

COc1ccc(CN(CC(O)C(F)(F)F)C(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CETP P11597 3/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL30479647 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1GAASLC6A2
SCHEMBL25342155 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1GAASLC6A2
SCHEMBL24743093 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1GAASLC6A2
SCHEMBL192119 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1GAALMNA
SCHEMBL31564004 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1LMNAMEN1
SCHEMBL25980674 0.79 GAA (0.39) ALDH1A1KDM4ETDP1GAASLC6A2
SCHEMBL5383935 0.78 SMN1; SMN2 (0.40) ALDH1A1KDM4EGAALMNAMEN1
SCHEMBL14680120 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1GAASLC6A2
SCHEMBL15624358 0.78 KMT2A (0.55) ALDH1A1KDM4ETDP1GAALMNA
SCHEMBL12282460 0.77 MEN1 (0.43) ALDH1A1KDM4ETDP1GAALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed