SCHEMBL7786715

SCHEMBL7786715

COC(=O)c1cc(O)c2ccc3ccccc3c2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MPL P40238 1/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 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
SCHEMBL7782009 0.89 MAPT (0.53) MAPTMEN1KMT2AMPLHPGD
SCHEMBL7781995 0.82 NCEH1 (0.45) MAPTMEN1KMT2AMPLHPGD
SCHEMBL2470133 0.81 LMNA (0.55) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL7786707 0.80 LMNA (0.44) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL7782003 0.76 NCEH1 (0.45) MAPTMEN1KMT2AMPLHPGD
SCHEMBL246068 0.76 MAPT (0.52) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL15485722 0.76 TSHR (0.56) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL8742045 0.76 KMT2A (0.43) MAPTMEN1KMT2AMPLHPGD
SCHEMBL8506162 0.75 KMT2A (0.53) MAPTMEN1KMT2AMPLHPGD
SCHEMBL13176746 0.75 CA12 (0.55) MAPTMEN1KMT2AKDM4ETSHR

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