SCHEMBL6000368

SCHEMBL6000368

COC(=O)CCCCC(O)CCc1ccccc1OCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.54
PPARA Q07869 1/20 0.49
TRPA1 O75762 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ADRB2 P07550 2/20 0.45
PTGFR P43088 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
FAAH O00519 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL6001980 0.88 PPARG (0.51) PPARGPPARALTB4RLTB4R2ADRB2
SCHEMBL10986377 0.85 TRPA1 (0.50) PPARGTRPA1ADRB2PTGFRTRPV1
SCHEMBL6001910 0.80 PPARG (0.53) PPARGPPARATRPA1CYSLTR2CYSLTR1
SCHEMBL6001865 0.80 PPARG (0.43) PPARGPPARAPTGESALOX5FAAH
SCHEMBL6280259 0.78 PPARG (0.42) PPARGPPARALTB4RLTB4R2CYSLTR2
SCHEMBL6001819 0.78 PPARG (0.42) PPARGPPARAADRB2PTGFR
SCHEMBL9122597 0.78 LTB4R (0.54) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL20717644 0.77 MAPT (0.65) ALOX5FAAH
SCHEMBL9404041 0.77 MAPT (0.65) ALOX5FAAH
SCHEMBL9219599 0.77 MAPT (0.65) ALOX5FAAH

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-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
US-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 US disclosed