SCHEMBL10744397

SCHEMBL10744397

CCCc1c(OCCCOc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.95

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.95
PPARG P37231 2/20 0.79
PPARD Q03181 2/20 0.79
PPARA Q07869 2/20 0.79
LMNA P02545 1/20 0.79
CYP1A2 P05177 1/20 0.79
MAPT P10636 1/20 0.79
CYP2C9 P11712 1/20 0.79
NFKB1 P19838 1/20 0.79
BLM P54132 1/20 0.79
CYSLTR1 Q9Y271 13/20 0.67
CYSLTR2 Q9NS75 12/20 0.67

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
SCHEMBL6244487 0.98 GRM2 (1.00) GRM2PPARGPPARDPPARALMNA
SCHEMBL10741333 0.96 GRM2 (0.93) GRM2PPARGPPARDPPARALMNA
SCHEMBL6934823 0.94 GRM2 (0.84) GRM2PPARGPPARDPPARALMNA
SCHEMBL9043028 0.91 GRM2 (0.80) GRM2PPARGPPARDPPARALMNA
SCHEMBL10958977 0.90 GRM2 (0.82) GRM2PPARGPPARDPPARALMNA
SCHEMBL7805356 0.90 GRM2 (0.82) GRM2PPARGPPARDPPARALMNA
SCHEMBL2067483 0.88 PPARG (1.00) GRM2PPARGPPARDPPARALMNA
SCHEMBL29369990 0.88 PPARG (1.00) GRM2PPARGPPARDPPARALMNA
SCHEMBL9733661 0.88 GRM2 (0.75) GRM2PPARGPPARDPPARALMNA
SCHEMBL11046915 0.88 PPARG (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672066-A TREATMENT OF ALLERGIC CONDITIONS AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1987-06-09 US disclosed
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