SCHEMBL9715845

SCHEMBL9715845

CC=CC(=O)OCCC[Si](C)(Cl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.38
AKR1B10 O60218 5/20 0.38
AKR1B1 P15121 5/20 0.38
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4807098 0.88 AKR1B10 (0.41) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL9715815 0.88 HCAR2 (0.39) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL22092326 0.86 HCAR2 (0.40) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL4623580 0.86 HCAR2 (0.40) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL7794491 0.85 HCAR2 (0.39) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL17373023 0.85 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL10629493 0.85 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5ATM
SCHEMBL17287255 0.85 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL16205020 0.83 HCAR2 (0.38) HCAR2AKR1B10AKR1B1ALOX5MAPT
SCHEMBL9764056 0.83 HCAR2 (0.38) HCAR2AKR1B10AKR1B1ALOX5MAPT

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
US-5098981-A POLYORGANOSILOXANE CHISSO CORPORATION (JP) 1992-03-24 US disclosed