SCHEMBL29326644

SCHEMBL29326644

COC(=O)c1ccc(C2CCN(C)CCN2C(=O)OC(C)(C)C)cc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.44
NR1H3 Q13133 9/20 0.44
NAMPT P43490 2/20 0.34
RXRA P19793 3/20 0.34
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.85 NR1H2 (0.47) NR1H2NR1H3NAMPTRXRAEED
SCHEMBL31056864 0.82 NR1H2 (0.45) NR1H2NR1H3NAMPTNPC1RAB9A
SCHEMBL29328205 0.80 NR1H2 (0.44) NR1H2NR1H3NAMPTUCHL1USP30
SCHEMBL29326263 0.78 NR1H2 (0.47) NR1H2NR1H3RAB9AALDH1A1
SCHEMBL28961486 0.74 NR1H2 (0.48) NR1H2NR1H3UCHL1USP30NPC1
SCHEMBL5529036 0.74 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL4967238 0.74 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL4967606 0.74 RIPK1 (0.48) NR1H2NR1H3EEDRBBP4SUZ12
SCHEMBL29321110 0.72 NR1H2 (0.45) NR1H2NR1H3NAMPTRXRAMEN1
SCHEMBL27284777 0.72 NR1H2 (0.46) NR1H2NR1H3UCHL1USP30NPC1

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