SCHEMBL31056740

SCHEMBL31056740

COC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc2ccccc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
PARP1 P09874 1/20 0.43
TMEM97 Q5BJF2 5/20 0.43
SIGMAR1 Q99720 5/20 0.43
ROCK2 O75116 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31056635 0.91 NR1H2 (0.48) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL2726051 0.84 PDK1 (0.53) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL30053079 0.84 PARP1 (0.51) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL29324569 0.83 TMEM97 (0.47) PDK1PDK2PDK3PDK4TMEM97
SCHEMBL29369782 0.82 PDK1 (0.52) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL38661369 0.82 PARP1 (0.50) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL29324566 0.80 NR1H2 (0.45) NR1H2NR1H3ROCK2ABHD6PDE4B
SCHEMBL31056551 0.79 HTR2C (0.43) PARP1TMEM97SIGMAR1NPC1RAB9A
SCHEMBL31056723 0.79 PARP1 (0.47) NR1H2NR1H3PDK1PDK2PDK3
SCHEMBL31056529 0.79 PARP1 (0.47) NR1H2NR1H3PDK1PDK2PDK3

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