SCHEMBL6001980

SCHEMBL6001980

COC(=O)CCCCC(Br)CCc1ccccc1OCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARD Q03181 1/20 0.43
HPGD P15428 1/20 0.42
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL6000368 0.88 PPARG (0.54) PPARGPPARALTB4RLTB4R2CYSLTR2
SCHEMBL9122597 0.80 LTB4R (0.54) PPARGPPARALTB4RLTB4R2PPARD
SCHEMBL6001865 0.79 PPARG (0.43) PPARGPPARAPTGESALOX5PPARD
SCHEMBL6280259 0.78 PPARG (0.42) PPARGPPARALTB4RLTB4R2CYSLTR2
SCHEMBL6001910 0.77 PPARG (0.53) PPARGPPARACYSLTR2CYSLTR1FAAH
SCHEMBL9404041 0.76 MAPT (0.65) ALOX5FAAHCES1
SCHEMBL9219599 0.76 MAPT (0.65) ALOX5FAAHCES1
SCHEMBL8662111 0.76 MAPT (0.65) ALOX5FAAHCES1
SCHEMBL20717644 0.76 MAPT (0.65) ALOX5FAAHCES1
SCHEMBL9764517 0.76 MAPT (0.65) ALOX5FAAHCES1

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-1655280-A1 Dicarboxylic acid derivates with pharmaceutical properties Bayer HealthCare AG (DE) 2006-05-10 EP disclosed