SCHEMBL31056814

SCHEMBL31056814

COC(=O)c1ccc(C2CN(CC(F)F)CCN2C(=O)OCc2ccccc2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.42
SIGMAR1 Q99720 8/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PDE4B Q07343 5/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 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
SCHEMBL29324569 0.86 TMEM97 (0.47) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056583 0.85 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL29324227 0.85 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056921 0.85 TMEM97 (0.48) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056939 0.85 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056771 0.83 TMEM97 (0.45) TMEM97SIGMAR1PDE4B
SCHEMBL31056568 0.81 PDE4B (0.42) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL29324155 0.72 NR1H2 (0.47) PDK2PDK4PDE4BNR1H2NR1H3
SCHEMBL8248090 0.72 TMEM97 (0.55) TMEM97SIGMAR1ALDH1A1TP53
SCHEMBL31056740 0.71 NR1H2 (0.49) TMEM97SIGMAR1PDK1PDK2PDK3

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed