SCHEMBL29218840

SCHEMBL29218840

CCC(C)(C)c1ccc(NC2CCC(C)(OC(N)=O)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ HRH3 Q9Y5N1 9/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR2 P34972 2/20 0.33

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
SCHEMBL25041455 0.80 DRD2 (0.36) MAPTHRH3ALDH1A1CCR5NPC1
SCHEMBL29218591 0.80 MAPT (0.40) MAPTHRH3ALDH1A1HTTHPGD
SCHEMBL29218611 0.80 HRH3 (0.36) MAPTHRH3ALDH1A1CNR2
SCHEMBL31205891 0.77 ALDH1A1 (0.40) MAPTHRH3ALDH1A1HTTCCR5
SCHEMBL25039629 0.77 CNR2 (0.36) MAPTHRH3NPC1RAB9ACNR2
SCHEMBL25042037 0.76 MAPT (0.49) MAPTALDH1A1HTTNPC1MAPK1
SCHEMBL29218547 0.76 MAPT (0.36) MAPTHRH3ALDH1A1HTTHPGD
SCHEMBL29218846 0.75 CNR2 (0.36) MAPTHRH3ALDH1A1HTTHPGD
SCHEMBL29218861 0.75 CNR2 (0.39) MAPTHRH3ALDH1A1HTTHPGD
SCHEMBL29218530 0.74 CNR2 (0.39) MAPTHRH3ALDH1A1HTTHPGD

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
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
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