SCHEMBL9709420

SCHEMBL9709420

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL29558956 0.72 HCAR2 (0.45) HCAR2MEN1KMT2ATSHRADRA1A
SCHEMBL25263596 0.72 HCAR2 (0.45) HCAR2MEN1KMT2ATSHRADRA1A
SCHEMBL29558259 0.72 HCAR2 (0.45) HCAR2MEN1KMT2ATSHRADRA1A
SCHEMBL7868733 0.72
SCHEMBL7743142 0.71 HCAR2 (0.43) HCAR2MEN1KMT2ATSHRADRA1A
SCHEMBL10779349 0.71 KDM4E (0.33) TSHRTDP1MAPT
SCHEMBL10779338 0.71 KDM4E (0.33) TSHRTDP1MAPT
SCHEMBL28098604 0.68 HCAR2 (0.41) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL297916 0.67 TSHR (0.59) HCAR2MEN1KMT2ATSHRADRA1A
SCHEMBL11398597 0.65 HCAR2 (0.38) HCAR2MEN1KMT2ATSHRADRA1A

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-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed