SCHEMBL20420898

SCHEMBL20420898

C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@H](C)N1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 7/20 0.48
▸ CACNA1H O95180 7/20 0.48
▸ CACNA1I Q9P0X4 7/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PTGER4 P35408 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL20432638 0.90 HDAC6 (0.58) KMT2AMEN1POLBHDAC1HDAC6
SCHEMBL17078604 0.90 HDAC6 (0.58) KMT2AMEN1POLBHDAC1HDAC6
SCHEMBL17078692 0.90 CA1 (0.47) CACNA1GCACNA1HCACNA1IKDM4EKMT2A
SCHEMBL20421186 0.88 DPP4 (0.50) CACNA1GCACNA1HCACNA1IPTGER4SMN1; SMN2
SCHEMBL17078470 0.84 FAAH (0.50) KDM4EHDAC1HDAC6
SCHEMBL20420975 0.82 PLA2G1B (0.52) KDM4EKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL20420995 0.81 PLA2G1B (0.55) KDM4EKMT2AMEN1POLBNPSR1
SCHEMBL20420932 0.81 CACNA1G (0.56) CACNA1GCACNA1HCACNA1I
SCHEMBL20420931 0.81 HDAC1 (0.60) KDM4EKMT2AMEN1POLBSMN1; SMN2
SCHEMBL20420981 0.81 HDAC1 (0.60) KDM4EKMT2AMEN1POLBSMN1; SMN2

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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