SCHEMBL28062801

SCHEMBL28062801

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
GAA P10253 1/20 0.33
FBP1 P09467 2/20 0.32
ATM Q13315 1/20 0.32
OGG1 O15527 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL28062856 0.94 EGFR (0.38) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL28062925 0.89 EGFR (0.41) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL28062832 0.89 CYP1A2 (0.37) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL17937823 0.85 EGFR (0.41) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL28062830 0.84 CYP1A2 (0.38) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL17937564 0.83 EGFR (0.43) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL17937678 0.82 EGFR (0.41) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL28062836 0.82 KMT2A (0.41)
SCHEMBL17937588 0.81 EGFR (0.42) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL28062814 0.81 EGFR (0.42) EGFRCYP1A2CYP2D6CYP2C19L3MBTL1

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