SCHEMBL9192587

SCHEMBL9192587

CCCc1c(OCC(N)=O)ccc(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.63
CYSLTR1 Q9Y271 17/20 0.63
PPARG P37231 2/20 0.61
PPARD Q03181 2/20 0.61
PPARA Q07869 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
NFKB1 P19838 1/20 0.61
BLM P54132 1/20 0.61
GRM2 Q14416 1/20 0.58
MEN1 O00255 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX5 P09917 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL9194187 0.89 CYSLTR2 (0.61) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9157243 0.87 CYSLTR2 (0.80) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10690172 0.85 CYSLTR2 (0.70) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10685393 0.85 PPARG (0.78) CYSLTR2CYSLTR1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL10464722 0.84 CYSLTR2 (0.69) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL11279092 0.84 PPARG (0.69) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL2015635 0.84 PPARG (0.63) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL6247680 0.83 PPARG (0.75) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL10702435 0.82 GRM2 (0.73) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL2354985 0.82 CYSLTR2 (0.58) 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
EP-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 EP disclosed