SCHEMBL11041789

SCHEMBL11041789

CCCc1c(OCCCOc2ccc(C(=O)O)c(O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.72
PPARG P37231 2/20 0.72
PPARD Q03181 2/20 0.72
PPARA Q07869 2/20 0.72
LMNA P02545 1/20 0.72
CYP1A2 P05177 1/20 0.72
MAPT P10636 1/20 0.72
CYP2C9 P11712 1/20 0.72
NFKB1 P19838 1/20 0.72
BLM P54132 1/20 0.72
CYSLTR2 Q9NS75 14/20 0.71
CYSLTR1 Q9Y271 14/20 0.71
PDE5A O76074 1/20 0.60

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
SCHEMBL11041899 0.97 GRM2 (0.69) GRM2PPARGPPARDPPARALMNA
Water SCHEMBL11046848 0.96 GRM2 (0.73) GRM2PPARGPPARDPPARALMNA
Water SCHEMBL11046844 0.96 GRM2 (0.73) GRM2PPARGPPARDPPARALMNA
SCHEMBL11043483 0.92 GRM2 (0.71) GRM2PPARGPPARDPPARALMNA
SCHEMBL11047543 0.89 GRM2 (0.70) GRM2PPARGPPARDPPARALMNA
SCHEMBL11046915 0.88 PPARG (0.74) GRM2PPARGPPARDPPARALMNA
SCHEMBL11040860 0.87 GRM2 (0.59) GRM2PPARGPPARDPPARALMNA
SCHEMBL10744397 0.86 GRM2 (0.95) GRM2PPARGPPARDPPARALMNA
SCHEMBL11049754 0.86 CYSLTR1 (0.61) GRM2PPARGPPARDPPARALMNA
SCHEMBL10958977 0.86 GRM2 (0.82) GRM2PPARGPPARDPPARALMNA

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