SCHEMBL11021045

SCHEMBL11021045

CCCc1c(OCC=Cc2ccc(C#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
GRM2 Q14416 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.49
CYSLTR2 Q9NS75 15/20 0.46
CYSLTR1 Q9Y271 15/20 0.46
CTSD P07339 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL11018220 1.00 PPARG (0.49) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11019932 1.00 PPARG (0.49) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10953472 0.85 GRM2 (0.65) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6242750 0.81 GRM2 (0.69) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9176150 0.80 CYSLTR2 (0.46) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9176148 0.80 CYSLTR2 (0.46) PPARGPPARDPPARAGRM2LMNA
SCHEMBL11019704 0.80 PPARG (0.60) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6244992 0.80 GRM2 (0.72) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9821841 0.79 PPARG (0.55) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9191892 0.78 PPARG (0.57) PPARGPPARDPPARAGRM2LMNA

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-0146333-A1 Organic compounds and their pharmaceutical use Lilly Industries Limited (GB) 1985-06-26 EP disclosed