SCHEMBL29328430

SCHEMBL29328430

COC(=O)c1ccc(C2CC(C)N(C)CCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.43
NR1H3 Q13133 4/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SETD7 Q8WTS6 2/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SCN9A Q15858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1653727 0.83 NPC1 (0.52) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL29328205 0.82 NR1H2 (0.44) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL12988407 0.81 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6SETD7
SCHEMBL5458875 0.80 NPC1 (0.48) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL30736727 0.80 NR1H2 (0.47) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL16409421 0.79 HDAC1 (0.42) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL17782289 0.79 HDAC1 (0.42) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL31056656 0.79 NR1H2 (0.46) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL12988409 0.79 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6SETD7
SCHEMBL29213783 0.78 NR1H2 (0.40) NR1H2NR1H3HDAC1HDAC6NPC1

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