SCHEMBL7169529

SCHEMBL7169529

COc1c(C=CC(=O)O)cc(Cl)cc1-c1cccc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.45
NR0B2 Q15466 3/20 0.45
RARB P10826 4/20 0.41
HDAC11 Q96DB2 5/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
RARA P10276 3/20 0.34
RARG P13631 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 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
SCHEMBL7169523 1.00 PTPN11 (0.45) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2406294 0.83 PTPN11 (0.64) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2406297 0.83 PTPN11 (0.64) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL6022897 0.77 HDAC11 (0.47) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL6022901 0.77 HDAC11 (0.47) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2404992 0.73 PTPN11 (0.58) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2404988 0.73 PTPN11 (0.58) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2393698 0.72 PTPN11 (0.50) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2393700 0.70 PTPN11 (0.57) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL27620046 0.70 RARB (0.49) PTPN11NR0B2RARBHDAC11HDAC2

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-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 WO disclosed