SCHEMBL15048742

SCHEMBL15048742

NCCOP(=O)(O)OC(CNC(=O)CCCc1ccccc1)CNC(=O)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
MMP2 P08253 2/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL15048814 0.92 HPGD (0.50) HPGDMMP2LMNAPKMTAAR1
SCHEMBL15061772 0.92 HPGD (0.50) HPGDMMP2LMNAPKMTAAR1
SCHEMBL15061769 0.86 HPGD (0.52) HPGDLMNAPKMTAAR1HDAC3
SCHEMBL15061770 0.83 HPGD (0.62) HPGDLMNAPKMHDAC3HDAC1
SCHEMBL15061774 0.82 HPGD (0.47) HPGDLMNAPKMTAAR1HDAC3
SCHEMBL15061768 0.77 HPGD (0.57) HPGDLMNAPKMHDAC3HDAC1
SCHEMBL25254833 0.71 L3MBTL1 (0.57) HPGDLMNAPKMTAAR1HDAC3
SCHEMBL21633621 0.71 L3MBTL1 (0.57) HPGDLMNAPKMTAAR1HDAC3
SCHEMBL18065672 0.71 MMP2 (0.66) HPGDMMP2LMNAPKMHDAC3
SCHEMBL25293407 0.71 L3MBTL1 (0.57) HPGDLMNAPKMTAAR1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607367-A1 Glycerol phenyl butyrate derivatives Lunamed AG (CH) 2013-06-26 EP disclosed
EP-2607367-A1 Glycerol phenyl butyrate derivatives Lunamed AG (CH) 2013-06-26 EP disclosed