SCHEMBL28062702

SCHEMBL28062702

CCCCO[Si](C)(OCCCC)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2D6 P10635 4/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP19A1 P11511 4/20 0.34
CYP2C9 P11712 4/20 0.34
LMNA P02545 1/20 0.34
DRD2 P14416 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
SCHEMBL704788 0.90 CYP2C9 (0.39) KDM4ETDP1CYP2C19CYP1A2CYP2D6
SCHEMBL28062851 0.89 MAPT (0.33) MAPK1KDM4ECYP2C19CYP1A2CYP2D6
SCHEMBL17937863 0.85 MGLL (0.36) MGLLMAPK1KDM4ETDP1CYP2C19
SCHEMBL17937801 0.83 MGLL (0.37) MGLLMAPK1KDM4ETDP1CYP2C19
SCHEMBL28062854 0.81 POLB (0.40) TDP1CYP2C19CYP1A2CYP2D6NPC1
SCHEMBL708763 0.81 LTA4H (0.46) MGLLMAPK1TDP1CYP2C19CYP1A2
SCHEMBL28062850 0.80 CYP2A6 (0.35) MGLLMAPK1KDM4ETDP1NPC1
SCHEMBL17937762 0.80 MGLL (0.36) MGLLMAPK1KDM4ETDP1CYP2C19
SCHEMBL28062819 0.80 MGLL (0.36) MGLLMAPK1KDM4ETDP1CYP2C19
SCHEMBL28062814 0.80 EGFR (0.42) MAPK1CYP2C19CYP1A2CYP2D6NPC1

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