SCHEMBL20420895

SCHEMBL20420895

CC(C)NC(=O)N1C[C@@H](C)N(Cc2ccc(C(=O)O)cc2)[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17078847 0.88 HDAC6 (0.55) HDAC1HDAC6POLB
SCHEMBL17078608 0.88 MEN1 (0.47) HDAC1HDAC6POLBGAAL3MBTL1
SCHEMBL17078470 0.81 FAAH (0.50) HDAC1HDAC6KDM4EMAPTLTA4H
SCHEMBL20420898 0.81 CACNA1G (0.48) HDAC1HDAC6POLBSMN1; SMN2KMT2A
SCHEMBL20420923 0.80 ALDH1A1 (0.45) HDAC1HDAC6POLBGAASMN1; SMN2
SCHEMBL20420964 0.80 POLB (0.45) HDAC1HDAC6POLBGAASMN1; SMN2
SCHEMBL20420995 0.78 PLA2G1B (0.55) HDAC1HDAC6POLBGAASMN1; SMN2
SCHEMBL20421118 0.78 SMN1; SMN2 (0.47) GAASMN1; SMN2L3MBTL1KMT2AKDM4E
SCHEMBL20421054 0.77 HDAC1 (0.46) HDAC1HDAC6POLBGAASMN1; SMN2
SCHEMBL20421200 0.77 HSD11B1 (0.47) HDAC1HDAC6POLBSMN1; SMN2ALDH1A1

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
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
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