SCHEMBL9719312

SCHEMBL9719312

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.54
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALOX15 P16050 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ATM Q13315 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28987278 1.00 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9719311 1.00 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9615496 0.89 HCAR2 (0.45) HCAR2TSHRALDH1A1KEAP1NFE2L2
SCHEMBL6049197 0.89 HCAR2 (0.45) HCAR2TSHRALDH1A1KEAP1NFE2L2
SCHEMBL16004844 0.89 HCAR2 (0.45) HCAR2TSHRALDH1A1KEAP1NFE2L2
SCHEMBL29406881 0.85 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL31246345 0.81 HCAR2 (0.35) HCAR2KEAP1NFE2L2ATM
SCHEMBL2144101 0.80 NFE2L2 (0.65) HCAR2TP53ALDH1A1TDP1KDM4E
SCHEMBL2144386 0.80 NFE2L2 (0.65) HCAR2TP53ALDH1A1TDP1KDM4E
SCHEMBL2144096 0.80 NFE2L2 (0.65) HCAR2TP53ALDH1A1TDP1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed