SCHEMBL11044571

SCHEMBL11044571

CCCc1c(OCCCCCOc2cccc(/C=C/C(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.67
CYSLTR1 Q9Y271 16/20 0.67
GRM2 Q14416 1/20 0.60
PPARG P37231 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL11044575 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11046723 0.99 CYSLTR2 (0.68) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11046719 0.99 CYSLTR2 (0.68) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11047150 0.97 CYSLTR2 (0.71) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11047154 0.97 CYSLTR2 (0.71) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11047613 0.96 CYSLTR2 (0.66) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11047617 0.96 CYSLTR2 (0.66) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11046451 0.90 CYSLTR1 (0.58) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11046456 0.90 CYSLTR1 (0.58) CYSLTR2CYSLTR1GRM2PPARGPPARD
SCHEMBL11047159 0.89 CYSLTR1 (0.56) CYSLTR2CYSLTR1GRM2PPARGPPARD

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 1 patent. 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