SCHEMBL7374971

SCHEMBL7374971

CCOC(=O)C(SCCCc1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
ALOX5 P09917 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP8 P22894 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
PIN1 Q13526 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7370964 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTDP1MMP8LMNA
SCHEMBL11449291 0.87 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALOX5TDP1MMP8
SCHEMBL7366107 0.81 ALDH1A1 (0.55) SMN1; SMN2MAPTTDP1MMP8LMNA
SCHEMBL6963211 0.80 HDAC3 (0.50) SMN1; SMN2MAPTTDP1HDAC3HDAC4
SCHEMBL6778466 0.80 MEN1 (0.53) SMN1; SMN2MAPTALOX5TDP1MMP8
SCHEMBL10971978 0.77 MEN1 (0.47) SMN1; SMN2MAPTTDP1LMNAPIN1
SCHEMBL6714506 0.76 TDP1 (0.65) SMN1; SMN2MAPTALOX5TDP1MMP8
SCHEMBL11449287 0.76 ALOX5 (0.52) SMN1; SMN2MAPTALOX5LMNAL3MBTL1
SCHEMBL1856485 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTDP1MMP8LMNA
SCHEMBL15587121 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALOX5TDP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed