SCHEMBL2474898

SCHEMBL2474898

CC(C)CC(Br)(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
FPR2 P25090 1/20 0.38
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
MLYCD O95822 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 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
SCHEMBL821499 0.77 GRM2 (0.40) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL12539265 0.77 MMP8 (0.36) GRM2GRM3FPR2MMP8MAPT
SCHEMBL15878666 0.73 MMP8 (0.43) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL2139826 0.72 GRM2 (0.39) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL17376893 0.72 GRM2 (0.39) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL27939866 0.72 MMP8 (0.37) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL888213 0.72 MMP8 (0.55) GAASMN1; SMN2MMP8CYP2C19ALDH1A1
SCHEMBL301722 0.70 ACACB (0.40) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL6058507 0.70 MMP8 (0.44) GRM2GRM3FPR2GAASMN1; SMN2
SCHEMBL10953396 0.70 GRM2 (0.38) GRM2GRM3GAASMN1; SMN2CYP2C19

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-2374821-B1 MANUFACTURING METHOD OF SOLID CATALYST COMPONENT AND OF CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2015-05-06 EP disclosed
EP-2374821-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, MANUFACTURING METHOD, AND CATALYST AND OLEFIN POLYMER MANUFACTURING METHOD Toho Titanium CO., LTD. (JP) 2011-10-12 EP disclosed