SCHEMBL4604945

SCHEMBL4604945

CCOc1c(O)ccc2c1C(c1ccccc1)C(=O)O2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CREB1 P16220 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
STK17B O94768 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12231012 0.73 GAA (0.45) GAAMEN1KMT2AL3MBTL1CYP3A4
SCHEMBL4604946 0.70 GAA (0.41) GAAMEN1KMT2ACYP3A4MAPT
SCHEMBL4454649 0.67 GAA (0.46) GAAMEN1KMT2ACYP3A4MAPT
SCHEMBL2612448 0.66 NPSR1 (0.57) GAANPSR1LMNA
SCHEMBL8488845 0.66 GAA (0.38) GAAMEN1KMT2ACYP3A4MAPT
SCHEMBL3905949 0.66 GAA (0.45) GAA
SCHEMBL4449574 0.66 GAA (0.42) GAAALDH1A1
SCHEMBL1274016 0.65 KDM4E (0.41) GAAMEN1KMT2ANPSR1L3MBTL1
SCHEMBL29612322 0.65 MAPT (0.49) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL2035337 0.64 ALDH1A1 (0.39) GAAMEN1KMT2AL3MBTL1MAPT

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-1934278-A2 NON-STAINING ANTIDEGRADANTS FOR VULCANIZED ELASTOMERS Ciba Holding Inc. (CH) 2008-06-25 EP disclosed
WO-2007042418-A2 NON-STAINING ANTIDEGRADANTS FOR VULCANIZED ELASTOMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-19 WO disclosed
EP-0892827-A1 STABILIZER COMPOSITION Clariant Finance (BVI) Limited (VG) 1999-01-27 EP disclosed
WO-1997039051-A1 STABILIZER COMPOSITION CLARIANT FINANCE (BVI) LIMITED (VG) 1997-10-23 WO disclosed