SCHEMBL6132065

SCHEMBL6132065

COC(=O)c1cc(O)c2cc(OC)c(OC)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.58
KDM4E B2RXH2 3/20 0.55
XDH P47989 2/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
BCL2L1 Q07817 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CNR2 P34972 2/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47

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
SCHEMBL2635611 0.80 KDM4E (0.55) PTPN11KDM4EXDHLMNATDP1
SCHEMBL6131966 0.80 PKM (0.52) PTPN11KDM4EBCL2L1ALDH1A1CNR2
SCHEMBL27364085 0.79 LCK (0.66) PTPN11KDM4EXDHLMNATDP1
SCHEMBL6815095 0.78 CNR2 (0.54) KDM4ELMNAALDH1A1CNR2MAPT
SCHEMBL4795518 0.78 BCL2L1 (0.54) PTPN11KDM4EXDHLMNATDP1
SCHEMBL1844411 0.78 LCK (0.55) PTPN11KDM4EXDHLMNATDP1
Biphenyl SCHEMBL1012356 0.77 PTGS2 (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1465618 0.77 KDM4E (0.77) PTPN11KDM4EXDHLMNATDP1
SCHEMBL30594704 0.77 KDM4E (0.77) PTPN11KDM4EXDHLMNATDP1
SCHEMBL1134668 0.75 TPMT (0.73) PTPN11KDM4EXDHLMNATDP1

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-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
EP-1214310-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed
WO-2001019812-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed