SCHEMBL9525628

SCHEMBL9525628

Fc1cccc2c1OC(COCc1ccccc1)C(COCc1ccccc1)O2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.39
KDM1A O60341 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DRD1 P21728 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9570489 1.00 LMNA (0.42) LMNATSHRKDM1AMAOAMAOB
SCHEMBL9525618 1.00 LMNA (0.42) LMNATSHRKDM1AMAOAMAOB
SCHEMBL10978067 0.83 TSHR (0.52) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL10980851 0.83 TSHR (0.52) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL10978073 0.83 TSHR (0.52) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL10980854 0.83 TSHR (0.52) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL9526572 0.83 TSHR (0.39) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL9526576 0.83 TSHR (0.39) LMNATSHRL3MBTL1TAAR1HTR1A
SCHEMBL10377076 0.80 ALDH1A1 (0.42) LMNATSHROPRM1OPRD1OPRK1
SCHEMBL10377075 0.80 ALDH1A1 (0.42) LMNATSHROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359290-B1 AROMATIC DIOLS GLAXO GROUP LIMITED (GB) 1993-08-04 EP disclosed
EP-0532100-A1 Benzodioxinopyrrole derivative as alpha 2-adrenoreceptor antagonist GLAXO GROUP LIMITED (GB) 1993-03-17 EP disclosed
EP-0407016-A2 Use of benzodioxinopyrrole derivatives in the manufacture of a medicament for the treatment of anxiety GLAXO GROUP LIMITED (GB) 1991-01-09 EP disclosed
EP-0221725-B1 PROCESS FOR PREPARING HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1990-08-08 EP disclosed
EP-0359290-A1 Aromatic diols GLAXO GROUP LIMITED (GB) 1990-03-21 EP disclosed
EP-0221725-A2 Process for preparing heterocyclic compounds GLAXO GROUP LIMITED (GB) 1987-05-13 EP disclosed