Heptanoate

Heptanoate

SCHEMBL6286591

CCCCCCC(=O)O.Cc1cccc(C=Cc2ccccc2OCCCCCc2ccccc2)c1C#N

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
S1PR1 P21453 3/20 0.42
CYSLTR2 Q9NS75 4/20 0.42
CYSLTR1 Q9Y271 4/20 0.42
S1PR5 Q9H228 1/20 0.42
FFAR1 O14842 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G4B P0C869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6001877 0.79 LTB4R (0.42) LTB4RLTB4R2PTGESALOX5PPARG
Stearic Acid SCHEMBL8430838 0.74 PTGER1 (0.53) LTB4RLTB4R2PPARGPPARAMAPT
SCHEMBL10741731 0.73 CYSLTR2 (0.57) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL10741724 0.73 CYSLTR2 (0.57) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL7013170 0.73 FFAR1 (0.45) LTB4RLTB4R2MAPTRXFP1S1PR1
SCHEMBL6001988 0.72 LTB4R (0.49) LTB4RLTB4R2MAPTRXFP1S1PR1
SCHEMBL6280250 0.72 MAPT (0.52) LTB4RLTB4R2MAPTRXFP1S1PR1
SCHEMBL6280253 0.72 MAPT (0.52) LTB4RLTB4R2MAPTRXFP1S1PR1
SCHEMBL4510764 0.72 FFAR1 (0.43) LTB4RLTB4R2PPARDMAPTRXFP1
SCHEMBL4510771 0.72 FFAR1 (0.43) LTB4RLTB4R2PPARDMAPTRXFP1

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