SCHEMBL11279092

SCHEMBL11279092

CCCOc1ccc(C(C)=O)c(O)c1CCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.69
PPARD Q03181 2/20 0.69
PPARA Q07869 2/20 0.69
LMNA P02545 2/20 0.69
GRM2 Q14416 2/20 0.69
CYP1A2 P05177 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
NFKB1 P19838 1/20 0.69
BLM P54132 1/20 0.69
CYSLTR2 Q9NS75 16/20 0.67
CYSLTR1 Q9Y271 16/20 0.67
MEN1 O00255 1/20 0.63
GLA P06280 1/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX5 P09917 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63

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
SCHEMBL6247680 0.93 PPARG (0.75) PPARGPPARDPPARALMNAGRM2
Thiocyanic Acid SCHEMBL10687792 0.92 PPARG (0.61) PPARGPPARDPPARALMNAGRM2
SCHEMBL10702435 0.91 GRM2 (0.73) PPARGPPARDPPARALMNAGRM2
SCHEMBL4915595 0.90 PPARG (0.65) PPARGPPARDPPARALMNAGRM2
SCHEMBL11050054 0.90 PPARG (0.65) PPARGPPARDPPARALMNAGRM2
SCHEMBL10522351 0.90 CYSLTR2 (0.72) PPARGPPARDPPARALMNAGRM2
SCHEMBL6932399 0.90 PPARG (0.68) PPARGPPARDPPARALMNAGRM2
SCHEMBL10505686 0.90 PPARG (0.68) PPARGPPARDPPARALMNAGRM2
SCHEMBL6934984 0.90 PPARG (0.65) PPARGPPARDPPARALMNAGRM2
Bicarbonate SCHEMBL10790750 0.90 PPARG (0.76) PPARGPPARDPPARALMNAGRM2

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-0054398-A1 Pharmacologically active benzopyrano-(2,3-d)-v-triazoles BEECHAM GROUP PLC (GB) 1982-06-23 EP disclosed