SCHEMBL7182950

SCHEMBL7182950

CCCCC(CCCC=CCCCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.52
ALOX5 P09917 4/20 0.52
PPARG P37231 4/20 0.52
GRIK1 P39086 1/20 0.50
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
EPHX2 P34913 2/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSK P43235 1/20 0.46
FAAH O00519 1/20 0.45
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7182944 1.00 PTGES (0.52) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL7185562 0.94 GRIK1 (0.50) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL7185565 0.94 GRIK1 (0.50) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL7175346 0.90 GRIK1 (0.51) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL7175350 0.90 GRIK1 (0.51) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL1131425 0.88 GRIK1 (0.62) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL28380919 0.86 EPHX2 (0.54) PTGESALOX5PPARGMMP2MMP3
SCHEMBL8845789 0.85 PTGES (0.56) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL8845872 0.85 PTGES (0.56) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL473644 0.85 MMP2 (0.61) PTGESALOX5PPARGGRIK1MMP2

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-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP claimed