SCHEMBL29328574

SCHEMBL29328574

COC(=O)c1ccc(C2CN3CCOCC3CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 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
SCHEMBL14829412 0.84 MEN1 (0.45) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL14829411 0.84 MEN1 (0.45) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL30736727 0.82 NR1H2 (0.47) ALDH1A1NR1H2NR1H3HPGDHSD17B10
SCHEMBL24835249 0.82 NR1H2 (0.49) ALDH1A1NR1H2NR1H3KMT2AHPGD
SCHEMBL14833043 0.80 NPC1 (0.42) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL12988407 0.77 NR1H2 (0.50) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL1653727 0.75 NPC1 (0.52) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL12988409 0.75 NR1H2 (0.50) ALDH1A1NR1H2NR1H3MEN1KMT2A
SCHEMBL31056656 0.75 NR1H2 (0.46) NR1H2NR1H3MEN1KMT2AHPGD
Methyl Benzoate SCHEMBL27542747 0.74 TSHR (0.51) ALDH1A1MEN1KMT2AHPGDHSD17B10

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