SCHEMBL29218547

SCHEMBL29218547

CCC(C)(C)c1ccc(NC2CC(OC(N)=O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HRH3 Q9Y5N1 8/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ MAOB P27338 1/20 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
SCHEMBL29218846 0.91 CNR2 (0.36) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL29218591 0.89 MAPT (0.40) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL29218706 0.87 KIF11 (0.44) MAPTALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL29218861 0.84 CNR2 (0.39) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL29218945 0.79 MAPT (0.39) MAPTALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL29218530 0.78 CNR2 (0.39) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL29218769 0.78 EPHX1 (0.42) MAPTALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL25041901 0.78 CNR2 (0.39) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL31206072 0.77 CNR2 (0.38) MAPTALDH1A1HPGDHTTKMT2A
SCHEMBL29218758 0.76 EPHX1 (0.46) ALDH1A1HTTKMT2ASMN1; SMN2CNR2

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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