SCHEMBL11047156

SCHEMBL11047156

CCCc1c(OC/C=C/COc2cccc(/C=C/C(=O)O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 15/20 0.56
CYSLTR2 Q9NS75 14/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GRM2 Q14416 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
PPARG P37231 1/20 0.48
BLM P54132 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
PKM P14618 1/20 0.45

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
SCHEMBL11047159 1.00 CYSLTR1 (0.56) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11046451 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11047613 0.90 CYSLTR2 (0.66) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11046456 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11047617 0.90 CYSLTR2 (0.66) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11046719 0.90 CYSLTR2 (0.68) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11047154 0.90 CYSLTR2 (0.71) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11046723 0.90 CYSLTR2 (0.68) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11047150 0.90 CYSLTR2 (0.71) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL11044571 0.89 CYSLTR2 (0.67) CYSLTR1CYSLTR2KDM4EALDH1A1SMN1; SMN2

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