SCHEMBL11049754

SCHEMBL11049754

CCCc1c(OCC(O)COc2ccc(C(=O)O)c(O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 14/20 0.61
CYSLTR2 Q9NS75 12/20 0.61
PDE5A O76074 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
HPGD P15428 1/20 0.61
TBXAS1 P24557 1/20 0.61
KMT2A Q03164 1/20 0.61
GRM2 Q14416 3/20 0.57
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL11034508 0.90 CYSLTR1 (0.59) CYSLTR1CYSLTR2PDE5AMAPTMEN1
SCHEMBL11041789 0.86 GRM2 (0.72) CYSLTR1CYSLTR2PDE5AMAPTGRM2
SCHEMBL10958449 0.85 GRM2 (0.63) CYSLTR1CYSLTR2PDE5AMAPTMEN1
Water SCHEMBL11046848 0.84 GRM2 (0.73) CYSLTR1CYSLTR2MAPTGRM2PPARG
Water SCHEMBL11046844 0.84 GRM2 (0.73) CYSLTR1CYSLTR2MAPTGRM2PPARG
SCHEMBL11041899 0.83 GRM2 (0.69) CYSLTR1CYSLTR2PDE5AMAPTGRM2
SCHEMBL11056160 0.82 CYSLTR1 (0.57) CYSLTR1CYSLTR2PDE5AMAPTMEN1
SCHEMBL11452135 0.81 CYSLTR2 (0.61) CYSLTR1CYSLTR2PDE5AMAPTMEN1
SCHEMBL11026927 0.81 MAPT (0.57) CYSLTR1CYSLTR2PDE5AMAPTMEN1
SCHEMBL494357 0.81 CYSLTR1 (0.78) CYSLTR1CYSLTR2PDE5AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028063-B1 PHENOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-06-13 EP disclosed
EP-0028063-A1 Phenol derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-05-06 EP disclosed