SCHEMBL29828503

SCHEMBL29828503

CC(CCc1ccc2ccccc2c1)CC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC3 O15379 2/20 0.53
▸ HDAC4 P56524 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48

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
SCHEMBL30805751 1.00 GAA (0.56) GAARAB9ASMN1; SMN2HDAC8HDAC3
SCHEMBL29828847 0.85 HDAC8 (0.62) GAARAB9ASMN1; SMN2HDAC8HDAC3
SCHEMBL30805753 0.85 HDAC8 (0.62) GAARAB9ASMN1; SMN2HDAC8HDAC3
SCHEMBL30805769 0.81 ALDH1A1 (0.58) RAB9ASMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL29829016 0.81 ALDH1A1 (0.58) RAB9ASMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL14349707 0.78 HCAR2 (0.70) MEN1KMT2AKDM4E
SCHEMBL29828539 0.77 ALDH1A1 (0.63) GAARAB9ASMN1; SMN2L3MBTL1FNTA
SCHEMBL30805756 0.77 ALDH1A1 (0.63) GAARAB9ASMN1; SMN2L3MBTL1FNTA
SCHEMBL29828246 0.77 HDAC3 (0.67) RAB9ASMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL30805750 0.77 HDAC3 (0.67) RAB9ASMN1; SMN2HDAC8HDAC3HDAC4

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-114805108-A Preparation method of chiral beta-alkyl amide compound 南方科技大学 2022-07-29 — — CN disclosed
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