SCHEMBL28062814

SCHEMBL28062814

CCCCO[Si](C)(OCCCC)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2D6 P10635 2/20 0.38
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 2/20 0.35
GAA P10253 1/20 0.34
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
OGG1 O15527 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL28062847 0.90 EGFR (0.39) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL17937588 0.87 EGFR (0.42) EGFRCYP1A2CYP2C19CYP2D6CYP19A1
SCHEMBL17937564 0.85 EGFR (0.43) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL28062813 0.83 ALDH1A1 (0.40) EGFRCYP1A2GAAFBP1ALDH1A1
SCHEMBL17937760 0.83 EGFR (0.41) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL28062925 0.83 EGFR (0.41) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL17937678 0.81 EGFR (0.41) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL28062801 0.81 EGFR (0.41) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL17937823 0.81 EGFR (0.41) EGFRCYP1A2CYP2C19CYP2D6GAA
SCHEMBL28062833 0.81 KMT2A (0.43) CYP1A2CYP2C19CYP19A1CYP2C9ALDH1A1

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
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed