SCHEMBL28062819

SCHEMBL28062819

CCCCO[Si](CC)(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 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP3A4 P08684 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
SCHEMBL705317 0.91 CYP2D6 (0.37) KDM4ETDP1CYP2D6NPC1RAB9A
SCHEMBL28062699 0.89 MAPT (0.33) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17937619 0.88 MGLL (0.38) MGLLMAPK1KDM4ETDP1CYP2D6
SCHEMBL17937762 0.82 MGLL (0.36) MGLLMAPK1KDM4ETDP1CYP2D6
SCHEMBL28062804 0.82 SMN1; SMN2 (0.39) TDP1CYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL706387 0.81 LTA4H (0.44) MAPK1TDP1CYP2D6CYP1A2CYP2C19
SCHEMBL17937801 0.81 MGLL (0.37) MGLLMAPK1KDM4ETDP1CYP2D6
SCHEMBL17937859 0.81 CYP2A6 (0.33) MAPK1LMNAMEN1KMT2AHTT
SCHEMBL28062793 0.81 MGLL (0.35) MGLLMAPK1KDM4ETDP1CYP2D6
SCHEMBL28062925 0.80 EGFR (0.41) MAPK1CYP2D6CYP1A2CYP2C19L3MBTL1

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