SCHEMBL29328639

SCHEMBL29328639

COC(=O)c1ccc(C2CNCCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DPP4 P27487 2/20 0.38
PARP1 P09874 1/20 0.38
RIPK1 Q13546 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
OPRD1 P41143 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36

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
SCHEMBL24835755 0.93 HDAC1 (0.44) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL1653727 0.86 NPC1 (0.52) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL29514535 0.85 PARP1 (0.39) NPC1NR1H2NR1H3USP30PARP1
SCHEMBL5458875 0.85 NPC1 (0.48) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL16466085 0.82 OPRD1 (0.44) NPC1DPP4HTTRAB9ASMN1; SMN2
SCHEMBL31056656 0.81 NR1H2 (0.46) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL14833043 0.80 NPC1 (0.42) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL29390268 0.80 NR1H2 (0.45) HDAC1HDAC6NR1H2NR1H3PARP1
SCHEMBL30736727 0.80 NR1H2 (0.47) HDAC1HDAC6NPC1NR1H2NR1H3
SCHEMBL12988407 0.79 NR1H2 (0.50) HDAC1HDAC6NR1H2NR1H3ALDH1A1

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