SCHEMBL28062846

SCHEMBL28062846

CCC(CC)O[SiH2]c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 2/20 0.33
HPGD P15428 1/20 0.33
SLC6A19 Q695T7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL28846243 0.79 AOC3 (0.36) IDO1AGXTTAAR1
SCHEMBL28062812 0.79 PNMT (0.37) IDO1AGXT
SCHEMBL28062716 0.77 CYP2A6 (0.33) ALDH1A1MAPK1IDO1GAAKDM4E
SCHEMBL710832 0.74
SCHEMBL28062816 0.74 RIPK1 (0.39) MAOAALDH1A1MAPK1IDO1AGXT
SCHEMBL28935454 0.71 MEN1 (0.36) ALDH1A1MAPT
SCHEMBL28062865 0.70 ALDH1A1 (0.39) MAOAALDH1A1MAPK1IDO1AGXT
SCHEMBL28156894 0.69 HPGD (0.31) HPGD
SCHEMBL6708272 0.69 LMNA (0.32)
SCHEMBL22306328 0.68 IDO1 (0.55) MAOAALDH1A1IDO1AGXTMAOB

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