SCHEMBL7786707

SCHEMBL7786707

COC(=O)c1cc(O)c2cc(OC)c3ccccc3c2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 7/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 2/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EP300 Q09472 1/20 0.40
DHODH Q02127 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL7791053 0.83 TSHR (0.47) TSHRESR1ESR2HSD17B10KDM4E
SCHEMBL7791031 0.83 DHODH (0.43) LMNATSHRESR1ESR2HSD17B10
SCHEMBL20123231 0.81 KDM4E (0.52) LMNATSHRHSD17B10KDM4EHPGD
SCHEMBL7786715 0.80 MAPT (0.53) LMNATSHRHSD17B10KDM4EHPGD
SCHEMBL2470133 0.79 LMNA (0.55) LMNATSHRHSD17B10KDM4EHPGD
SCHEMBL17240274 0.75 MAPT (0.50) LMNATSHRESR1ESR2HSD17B10
SCHEMBL7789713 0.73 FTO (0.53) LMNATSHRESR1ESR2KDM4E
SCHEMBL3741758 0.72 KDM4E (0.60) LMNATSHRHSD17B10KDM4EHPGD
SCHEMBL5551334 0.71 PLK1 (0.48) LMNATSHRHSD17B10KDM4EHPGD
SCHEMBL1791233 0.71 KDM4E (0.66) LMNATSHRKDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801750-B1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG IND OHIO INC (US) 2001-11-07 EP disclosed
EP-0801750-A4 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES INC (US) 1997-12-10 EP disclosed
EP-0801750-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1997-10-22 EP disclosed
US-5514817-A PHOTOCHROMIC PPG INDUSTRIES, INC. (US) 1996-05-07 US disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed