SCHEMBL29328205

SCHEMBL29328205

COC(=O)c1ccc(C2CCN(C)CCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 2/20 0.40
RIPK1 Q13546 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
UCHL1 P09936 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NAMPT P43490 1/20 0.40
SCN1A P35498 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
SCHEMBL1653727 0.88 NPC1 (0.52) NR1H2NR1H3HDAC1HDAC6LMNA
SCHEMBL5458875 0.87 NPC1 (0.48) NR1H2NR1H3HDAC1HDAC6LMNA
SCHEMBL29326266 0.84 NR1H2 (0.47) NR1H2NR1H3KDM4EALDH1A1GAA
SCHEMBL12988407 0.83 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6ALDH1A1
SCHEMBL31056656 0.83 NR1H2 (0.46) NR1H2NR1H3HDAC1HDAC6LMNA
SCHEMBL24835249 0.82 NR1H2 (0.49) NR1H2NR1H3HDAC1HDAC6LMNA
SCHEMBL29328430 0.82 NR1H2 (0.43) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL30736727 0.81 NR1H2 (0.47) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL12988409 0.81 NR1H2 (0.50) NR1H2NR1H3HDAC1HDAC6NPC1
SCHEMBL31056864 0.80 NR1H2 (0.45) NR1H2NR1H3LMNANPC1HPGD

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