SCHEMBL10690432

SCHEMBL10690432

CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCOCCCOc1c(C(C)=O)ccc(OCCCC(=O)O)c1CCC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.80
CYSLTR1 Q9Y271 17/20 0.80
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
GRM2 Q14416 1/20 0.47

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
SCHEMBL10687984 0.97 CYSLTR2 (0.79) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10684894 0.94 CYSLTR2 (0.80) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10690589 0.90 CYSLTR2 (0.65) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10684992 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10691639 0.89 CYSLTR2 (0.86) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10690672 0.89 CYSLTR2 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10687163 0.87 CYSLTR2 (0.96) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10691594 0.87 CYSLTR2 (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10686407 0.86 CYSLTR2 (0.94) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9622269 0.86 CYSLTR2 (1.00) 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