SCHEMBL29326263

SCHEMBL29326263

COC(=O)c1ccc(C2CCN(C)CCN2C(=O)OC(C)(C)C)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
LRRK2 Q5S007 1/20 0.42
GHSR Q92847 5/20 0.42
YAP1 P46937 3/20 0.41
KLK7 P49862 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
HCN1 O60741 1/20 0.39
HCN4 Q9Y3Q4 1/20 0.39
HTR6 P50406 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29326266 0.81 NR1H2 (0.47) NR1H2NR1H3ALDH1A1
SCHEMBL31056864 0.78 NR1H2 (0.45) NR1H2NR1H3ALDH1A1RAB9A
SCHEMBL29326644 0.78 NR1H2 (0.44) NR1H2NR1H3ALDH1A1RAB9A
SCHEMBL29328205 0.76 NR1H2 (0.44) NR1H2NR1H3ALDH1A1
SCHEMBL16055979 0.73 CSF1R (0.49) LRRK2ALDH1A1RAB9A
SCHEMBL3156851 0.73 YAP1 (0.54) TLR9YAP1
SCHEMBL31056740 0.72 NR1H2 (0.49) NR1H2NR1H3YAP1TMEM97SIGMAR1
SCHEMBL31056635 0.72 NR1H2 (0.48) NR1H2NR1H3YAP1TMEM97SIGMAR1
SCHEMBL30930678 0.71 TMEM97 (0.58) TMEM97SIGMAR1ALDH1A1
SCHEMBL28961486 0.71 NR1H2 (0.48) NR1H2NR1H3ALDH1A1

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