SCHEMBL8899643

SCHEMBL8899643

CC=CC(=O)OCCC[Si](CCCOC(=O)C=CC)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.39
THRB P10828 2/20 0.39
AKR1B10 O60218 4/20 0.39
AKR1B1 P15121 4/20 0.39
ALOX5 P09917 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2166950 0.93 ATM (0.37) HCAR2THRBAKR1B10AKR1B1ALOX5
SCHEMBL230779 0.89 HCAR2 (0.39) HCAR2THRBAKR1B10AKR1B1ALOX5
SCHEMBL230551 0.88 HCAR2 (0.38) HCAR2THRBAKR1B10AKR1B1ALOX5
SCHEMBL852400 0.88 HCAR2 (0.38) HCAR2THRBAKR1B10AKR1B1ALOX5
SCHEMBL8899017 0.83 THRB (0.59) HCAR2THRBAKR1B10AKR1B1L3MBTL1
SCHEMBL17287255 0.80 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5ATM
SCHEMBL17373023 0.80 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5ATM
SCHEMBL10629493 0.80 HCAR2 (0.41) HCAR2AKR1B10AKR1B1ALOX5ATM
SCHEMBL4623580 0.79 HCAR2 (0.40) HCAR2AKR1B10AKR1B1ALOX5ATM
SCHEMBL22092326 0.79 HCAR2 (0.40) HCAR2AKR1B10AKR1B1ALOX5ATM

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-5700874-A CONJUGATED DIENE/VINYLAROMATIC HYDROCARBON COPOLYMER MODIFIED WITH ALKOXYSILANE BRIDGESTONE CORPORATION (JP) 1997-12-23 US disclosed