SCHEMBL6280259

SCHEMBL6280259

COC(=O)CCCCC(CCc1ccccc1OCCCCCc1ccccc1)Oc1c(Cl)cc(C(=O)OC)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PPARA Q07869 2/20 0.40
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
FAAH O00519 5/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
CES1 P23141 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL6001865 0.85 PPARG (0.43) PPARGPPARAPTGESALOX5FAAH
SCHEMBL6000368 0.78 PPARG (0.54) PPARGPPARAPTGESALOX5FAAH
SCHEMBL6001980 0.78 PPARG (0.51) PPARGPPARAPTGESALOX5FAAH
SCHEMBL13443503 0.76 PPARD (0.44) PPARGPPARALTB4RLTB4R2HPGD
SCHEMBL13009527 0.72 FAAH (0.42) FAAH
SCHEMBL13009622 0.72 FAAH (0.42) FAAH
SCHEMBL13443505 0.71 L3MBTL1 (0.47)
SCHEMBL13009623 0.71 PTGER1 (0.42) FAAH
SCHEMBL9122597 0.71 LTB4R (0.54) PPARGPPARALTB4RLTB4R2
SCHEMBL13443506 0.70 L3MBTL1 (0.46) MAPT

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-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed