SCHEMBL29324569

SCHEMBL29324569

COC(=O)c1ccc(C2CN(CC(F)F)CCN2C(=O)OCc2ccccc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.47
SIGMAR1 Q99720 10/20 0.47
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PDE4B Q07343 2/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL29324227 0.91 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056583 0.91 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056921 0.91 TMEM97 (0.48) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056939 0.91 TMEM97 (0.46) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056771 0.89 TMEM97 (0.45) TMEM97SIGMAR1PDE4B
SCHEMBL31056814 0.86 TMEM97 (0.42) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056568 0.85 PDE4B (0.42) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL29324155 0.84 NR1H2 (0.47) PDK2PDK4PDE4B
SCHEMBL31056740 0.83 NR1H2 (0.49) TMEM97SIGMAR1PDK1PDK2PDK3
SCHEMBL31056551 0.81 HTR2C (0.43) TMEM97SIGMAR1GFERALDH1A1

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