SCHEMBL9780281

SCHEMBL9780281

CCCc1c(OCCCSc2ccc(C(S)C(C)CC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.82
CYSLTR1 Q9Y271 16/20 0.82
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
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 0.52

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
L-649923 SCHEMBL9733531 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL11070503 0.89 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARDPPARA
L-649923 SCHEMBL10923568 0.89 CYSLTR2 (0.98) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780191 0.87 CYSLTR2 (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780255 0.86 CYSLTR2 (0.77) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780173 0.85 CYSLTR2 (0.76) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9863283 0.85 CYSLTR2 (0.90) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9733858 0.85 CYSLTR2 (0.73) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9863237 0.85 CYSLTR2 (0.72) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9780204 0.85 CYSLTR2 (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990526-A Skin disorders, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1991-02-05 US disclosed