SCHEMBL8324677

SCHEMBL8324677

O=C(Cc1ccccc1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPK1 P28482 1/20 0.64
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
PTGER1 P34995 3/20 0.52
PTGER4 P35408 3/20 0.52
PTGER3 P43115 3/20 0.52
PTGER2 P43116 3/20 0.52
CFD P00746 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
F11 P03951 1/20 0.52
KLKB1 P03952 1/20 0.52
F7 P08709 1/20 0.52
TPSB2 P20231 1/20 0.52
HTT P42858 1/20 0.51
FOLH1 Q04609 1/20 0.50
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL5661211 0.89 TBXAS1 (0.53) L3MBTL1ALDH1A1MAPK1HTR1ADRD2
SCHEMBL8015205 0.89 L3MBTL1 (0.61) L3MBTL1ALDH1A1MAPK1CFDPLG
SCHEMBL2988197 0.86 L3MBTL1 (0.56) L3MBTL1ALDH1A1HTR1ADRD2PTGER1
SCHEMBL31757763 0.86 L3MBTL1 (0.56) L3MBTL1ALDH1A1HTR1ADRD2PTGER1
SCHEMBL8682147 0.86 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPK1HTR1ADRD2
SCHEMBL1007508 0.85 CFD (0.68) L3MBTL1ALDH1A1HTR1ADRD2PTGER1
SCHEMBL31757965 0.85 CFD (0.68) L3MBTL1ALDH1A1HTR1ADRD2PTGER1
SCHEMBL9774023 0.84 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1412911 0.83 HTR1A (0.59) L3MBTL1ALDH1A1HTR1ADRD2PTGER1
SCHEMBL9003138 0.82 HRH1 (0.61) L3MBTL1ALDH1A1MAPK1DRD2LMNA

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-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed