SCHEMBL29218846

SCHEMBL29218846

CCC(C)(C)c1ccc(NC2CCC(OC(N)=O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 6/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29218591 0.93 MAPT (0.40) CNR2MAPTALDH1A1HTTHPGD
SCHEMBL29218547 0.91 MAPT (0.36) CNR2MAPTALDH1A1HTTHPGD
SCHEMBL29218769 0.88 EPHX1 (0.42) CNR2MAPTALDH1A1HTTKMT2A
SCHEMBL29218945 0.83 MAPT (0.39) MAPTALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL29218530 0.83 CNR2 (0.39) CNR2MAPTALDH1A1HTTHPGD
SCHEMBL29218758 0.81 EPHX1 (0.46) CNR2ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL29218717 0.80 EPHX1 (0.44) CNR2MAPTALDH1A1HTTKMT2A
SCHEMBL29218706 0.78 KIF11 (0.44) CNR2MAPTALDH1A1HTTKMT2A
SCHEMBL29218861 0.78 CNR2 (0.39) CNR2MAPTALDH1A1HTTHPGD
SCHEMBL25041904 0.77 CNR2 (0.40) CNR2MAPTHRH3NPC1RAB9A

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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