SCHEMBL9364930

SCHEMBL9364930

CC(C)(C)C([SiH3])(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNN4 O15554 4/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2B6 P20813 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL4649341 0.77 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL307045 0.77 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL859321 0.77 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL15302136 0.74 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
Fluoride SCHEMBL27660671 0.74 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL28375708 0.74 TSHR (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL15302663 0.73 KCNN4 (0.45) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL15302768 0.72 TSHR (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL15302535 0.72 ALDH1A1 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3091188 0.71 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012138698-A1 SYNTHESIS OF BETA-MANNURONIC ACID OLIGOSACCHARIDES ANCORA PHARMACEUTICALS INC. (US) 2012-10-11 WO claimed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
WO-2012138698-A1 SYNTHESIS OF BETA-MANNURONIC ACID OLIGOSACCHARIDES ANCORA PHARMACEUTICALS INC. (US) 2012-10-11 WO disclosed
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 EP disclosed
US-5134231-A Chemical intermediates for 1-alkylcarbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0243686-B1 BETA-LACTAM COMPOUNDS, AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-15 EP disclosed
US-5093328-A Carbapenicillin antibiotics SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
EP-0243686-A2 Beta-lactam compounds, and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-04 EP disclosed
EP-0229384-A2 Beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-07-22 EP disclosed