SCHEMBL7791031

SCHEMBL7791031

COC(=O)c1cc(O)c2cc(OC)c3ccccc3c2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
PLA2G2A P14555 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL7781999 0.84 TSHR (0.44) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL30128969 0.84 DHODH (0.46) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL1334120 0.84 DHODH (0.46) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL7786707 0.83 LMNA (0.44) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL6170807 0.81 LMNA (0.50) HPGDKDM4EALDH1A1NPSR1EGFR
SCHEMBL9898507 0.79 NR4A2 (0.50) HPGDKDM4EALDH1A1NPSR1EGFR
SCHEMBL1711290 0.74 DHODH (0.56) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL9015832 0.74 PDE3B (0.49) KDM4EHSD17B10
SCHEMBL2018471 0.73 FABP3 (0.47) DHODHHPGDKDM4EALDH1A1NPSR1
SCHEMBL9896760 0.72 PLA2G2A (0.53) DHODHHPGDKDM4EALDH1A1EGFR

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