SCHEMBL20421014

SCHEMBL20421014

CC(C)CC(=O)N1[C@H](C)CN(Cc2ccc(C(=O)O)cc2)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PKM P14618 1/20 0.43
▸ S1PR5 Q9H228 7/20 0.43
▸ S1PR1 P21453 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL17078905 0.86 HDAC6 (0.55) POLBATML3MBTL1KDM1AHDAC1
SCHEMBL17078902 0.86 L3MBTL1 (0.51) POLBATMPKML3MBTL1SMN1; SMN2
SCHEMBL20432841 0.86 HDAC6 (0.55) POLBATML3MBTL1KDM1AHDAC1
SCHEMBL20420925 0.85 S1PR5 (0.45) POLBS1PR5S1PR1L3MBTL1KDM1A
SCHEMBL20421051 0.84 GAA (0.43) POLBS1PR5S1PR1L3MBTL1KDM1A
SCHEMBL20421068 0.83 S1PR5 (0.49) POLBS1PR5S1PR1L3MBTL1KDM1A
SCHEMBL20420921 0.82 ALDH1A1 (0.46) POLBS1PR5S1PR1L3MBTL1KDM1A
SCHEMBL20421155 0.82 ALDH1A1 (0.57) S1PR5S1PR1KDM1ASMN1; SMN2KDM4E
SCHEMBL20420964 0.81 POLB (0.45) POLBATMS1PR5S1PR1L3MBTL1
SCHEMBL20420944 0.81 S1PR5 (0.46) POLBS1PR5S1PR1L3MBTL1KDM1A

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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