SCHEMBL6936909

SCHEMBL6936909

C=CCc1c(OCCCBr)ccc(C(=O)CC)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
GRM2 Q14416 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37

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
SCHEMBL9621096 0.88 PPARG (0.46) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6935920 0.84 PPARG (0.54) PPARGPPARDPPARAGRM2LMNA
SCHEMBL3956285 0.82 KDM4E (0.46) PPARGPPARDPPARALMNAMAPT
SCHEMBL8522465 0.81 KDM4E (0.34) PPARGPPARDPPARALMNAMAPT
SCHEMBL6938386 0.80 GRM2 (0.58) PPARGPPARDPPARAGRM2LMNA
SCHEMBL7128553 0.80 PPARG (0.40) PPARGPPARDPPARAGRM2LMNA
SCHEMBL8892285 0.76 PPARG (0.45) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6936437 0.76 HPGD (0.48) PPARGPPARDLMNAMAPT
SCHEMBL6936012 0.75 CYSLTR2 (0.54) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6938042 0.74 CYSLTR2 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed