SCHEMBL29324566

SCHEMBL29324566

COC(=O)c1ccc(C2CN(C(=O)OC(C)(C)C)CCN2OC(=O)c2ccccc2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 1/20 0.45
USP30 Q70CQ3 2/20 0.41
ROCK2 O75116 1/20 0.40
BTK Q06187 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
PBRM1 Q86U86 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ABHD6 Q9BV23 1/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 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
SCHEMBL31056740 0.80 NR1H2 (0.49) NR1H2NR1H3ROCK2ABHD6MEN1
SCHEMBL29320343 0.78 OPRD1 (0.39) KDM4EMEN1KMT2A
SCHEMBL20053162 0.75 KDM4E (0.47) USP30BTKKDM4EPKMRORC
SCHEMBL27952715 0.75 SMARCA2 (0.48) USP30BTKKDM4EPKMSMARCA2
SCHEMBL29324570 0.75 ALDH1A1 (0.39) NR1H2NR1H3KDM4EMEN1KMT2A
SCHEMBL30736753 0.75 NAMPT (0.52) KDM4EEEDRBBP4SUZ12EZH2
SCHEMBL31056950 0.75 PDE4B (0.40) NR1H2NR1H3USP30PKMEED
SCHEMBL29320340 0.75 PDE4B (0.40) NR1H2NR1H3USP30PKMEED
SCHEMBL28961486 0.74 NR1H2 (0.48) NR1H2NR1H3USP30MEN1KMT2A
SCHEMBL21757345 0.73 KDM4E (0.48) USP30BTKKDM4EPKMMEN1

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