SCHEMBL28181558

SCHEMBL28181558

CCCC(Br)/C(=C/C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
HCAR2 Q8TDS4 1/20 0.35
GLO1 Q04760 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 3/20 0.31
FAAH O00519 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 5/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL28181560 0.78 NPSR1 (0.52) NPSR1HCAR2GLO1CYP2D6MAPT
SCHEMBL234359 0.77 NPSR1 (0.59) NPSR1HCAR2GLO1CYP2D6MAPT
SCHEMBL234358 0.77 NPSR1 (0.59) NPSR1HCAR2GLO1CYP2D6MAPT
SCHEMBL28432838 0.75 NPSR1 (0.57) NPSR1HCAR2GLO1CYP2D6MAPT
SCHEMBL3828447 0.74 ZDHHC7 (0.40) NPSR1GLO1ZDHHC7CYP2D6CYP2C19
SCHEMBL5611229 0.72 NPSR1 (0.49) NPSR1HCAR2GLO1CYP2D6ALDH1A1
SCHEMBL5611226 0.72 NPSR1 (0.49) NPSR1HCAR2GLO1CYP2D6ALDH1A1
SCHEMBL304907 0.72 ZDHHC7 (0.48) NPSR1ZDHHC7CYP2D6CYP2C19FAAH
SCHEMBL1732719 0.72 ZDHHC7 (0.48) NPSR1ZDHHC7CYP2D6CYP2C19FAAH
SCHEMBL1732564 0.72 ZDHHC7 (0.48) NPSR1ZDHHC7CYP2D6CYP2C19FAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837714-B The manufacturing method of solid catalyst component for olefin polymerization, the manufacturing method of polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-07-20 CN disclosed
CN-104470953-B Process for producing solid catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefin polymer 东邦钛株式会社 2017-11-14 CN disclosed