SCHEMBL9709323

SCHEMBL9709323

CC(C)CC(C(=O)O)=C(C(=O)O)[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.34
GRIK1 P39086 2/20 0.32
CYP2C19 P33261 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 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
SCHEMBL4620869 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL610562 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL610561 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL8778791 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL9709161 0.75 FFAR3 (0.36) ALDH1A1TDP1GRIK1GRIA4GRIK3
SCHEMBL9709143 0.75 FFAR3 (0.36) ALDH1A1TDP1GRIK1GRIA4GRIK3
SCHEMBL28146034 0.72 ALDH1A1 (0.43) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL5611081 0.70 GRIK1 (0.42) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL5611085 0.70 GRIK1 (0.42) ALDH1A1TDP1CA2GRIK1CYP2C19
SCHEMBL28255243 0.70 ALDH1A1 (0.42) ALDH1A1TDP1CA2GRIK1CYP2C19

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-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed