SCHEMBL28237115

SCHEMBL28237115

O=C(O)c1ccc(C(=O)OCC(Br)CBr)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
ACE2 Q9BYF1 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MYC P01106 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL10402323 0.94 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1KDM4EMAPT
SCHEMBL4064413 0.87 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1MAPTHSD17B10
SCHEMBL9807482 0.85 MAPT (0.37) ALDH1A1TSHRMAPK1KDM4EMAPT
SCHEMBL94551 0.85 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1MAPTHSD17B10
SCHEMBL29600986 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1MAPTL3MBTL1
SCHEMBL11516863 0.82 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1KDM4EMAPT
SCHEMBL28004362 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1MAPTL3MBTL1
SCHEMBL28004772 0.82 MAPT (0.57) ALDH1A1TSHRMAPK1MAPTHSD17B10
SCHEMBL27557397 0.81 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1KDM4EMAPT
SCHEMBL9629919 0.79 MAPT (0.48) ALDH1A1TSHRMAPK1KDM4EMAPT

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-108349049-A Soldering paste water-soluble flux and soldering paste 三菱综合材料株式会社 2018-07-31 CN disclosed