SCHEMBL31056864

SCHEMBL31056864

COC(=O)c1ccc(C2CCN(C)CCN2C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
JAK2 O60674 1/20 0.36
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 0.86 NR1H2 (0.47) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL29326644 0.82 NR1H2 (0.44) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL29328205 0.80 NR1H2 (0.44) NR1H2NR1H3ALDH1A1KDM4EGAA
SCHEMBL29326263 0.78 NR1H2 (0.47) NR1H2NR1H3ALDH1A1RAB9A
SCHEMBL28961486 0.75 NR1H2 (0.48) NR1H2NR1H3ALDH1A1GAALMNA
SCHEMBL4967238 0.74 RIPK1 (0.48) NR1H2NR1H3ALDH1A1LMNANPSR1
SCHEMBL5529036 0.74 RIPK1 (0.48) NR1H2NR1H3ALDH1A1LMNANPSR1
SCHEMBL4967606 0.74 RIPK1 (0.48) NR1H2NR1H3ALDH1A1LMNANPSR1
SCHEMBL27949195 0.73 LMNA (0.46) ALDH1A1GAALMNANPSR1MEN1
SCHEMBL27284777 0.73 NR1H2 (0.46) NR1H2NR1H3ALDH1A1GAALMNA

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