SCHEMBL10691224

SCHEMBL10691224

CCCc1c(OCCCOc2cc(OCC(=O)O)ccc2C(C)=O)ccc(C(C)=O)c1O

nearest known ligand 0.94

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.94
CYSLTR1 Q9Y271 16/20 0.94
PPARG P37231 2/20 0.87
PPARD Q03181 2/20 0.87
PPARA Q07869 2/20 0.87
CYP1A2 P05177 2/20 0.87
MAPT P10636 2/20 0.87
LMNA P02545 1/20 0.87
CYP2C9 P11712 1/20 0.87
NFKB1 P19838 1/20 0.87
BLM P54132 1/20 0.87
GRM2 Q14416 1/20 0.66
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 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
SCHEMBL2067483 0.93 PPARG (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL29369990 0.93 PPARG (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10957310 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10691908 0.89 PPARG (0.88) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10902896 0.89 CYSLTR2 (0.94) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10901204 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9622277 0.86 CYSLTR2 (0.93) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9157243 0.86 CYSLTR2 (0.80) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10901977 0.86 CYSLTR2 (0.79) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10899669 0.86 CYSLTR2 (0.95) CYSLTR2CYSLTR1PPARGPPARDPPARA

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
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed