SCHEMBL5611085

SCHEMBL5611085

CCC(C(=O)O)=C(CC(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.42
GRIA4 P48058 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIK5 Q16478 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
FFAR3 O14843 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL5611081 1.00 GRIK1 (0.42) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL4620869 0.89 ALDH1A1 (0.50) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL610561 0.89 ALDH1A1 (0.50) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL610562 0.89 ALDH1A1 (0.50) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL8778791 0.87 ALDH1A1 (0.48) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL7779212 0.83 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL7779220 0.83 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL42601 0.81 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL101165 0.81 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5ALDH1A1
SCHEMBL42603 0.81 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5ALDH1A1

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-7208435-B2 Solid catalyst component for olefin polymerization and catalyst TOHO CATALYST CO., LTD. (JP) 2007-04-24 US disclosed