SCHEMBL29218694

SCHEMBL29218694

NC(=O)OC1CCC(Nc2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SYK P43405 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL29218677 0.94 HDAC3 (0.39) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL29218827 0.88 SYK (0.39) ALDH1A1HPGDSYKMAPTLMNA
SCHEMBL29218572 0.86 EML4 (0.36) HDAC8HDAC6HDAC3HDAC11SYK
SCHEMBL29218654 0.85 EPHX2 (0.33) HDAC8HDAC6HDAC3HDAC11SYK
SCHEMBL29218716 0.82 ALDH1A1 (0.43) HDAC8HDAC6ALDH1A1GAAMAPT
SCHEMBL29218783 0.82 MAPT (0.34) ALDH1A1SYKMAPTNPC1FFAR4
SCHEMBL29218828 0.81 EPHX2 (0.45) HDAC8NPC1RAB9A
SCHEMBL28487447 0.81 EPHX2 (0.45) HDAC8NPC1RAB9A
SCHEMBL29218851 0.81 POLB (0.46) HDAC8HDAC6HDAC1ALDH1A1SYK
SCHEMBL29218717 0.78 EPHX1 (0.44) ALDH1A1GAAMAPTLMNANPC1

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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