SCHEMBL28058725

SCHEMBL28058725

CCCCN(CCCC)c1cccc2c1C(O)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CRHR1 P34998 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 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
SCHEMBL28109769 0.85 KDM4E (0.38) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL1928348 0.78 SLC22A2 (0.40) BCHEACHECRHR1TP53ALDH1A1
SCHEMBL2362367 0.77 GPR3 (0.42) LMNAKDM4EMEN1KMT2ATP53
SCHEMBL9940409 0.75 HTR2A (0.49) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL28108135 0.75 BCHE (0.41) BCHEACHECYP3A4CYP2D6CYP2C9
SCHEMBL8752773 0.72 LIPG (0.47) BCHEACHE
SCHEMBL7153352 0.72 TDP1 (0.44) LMNAKDM4ECRHR1MEN1KMT2A
SCHEMBL28624583 0.71 BCHE (0.37) BCHEACHEKDM4EMEN1KMT2A
SCHEMBL29151907 0.70 GABRA1 (0.45) BCHEACHELMNAKDM4EMEN1
SCHEMBL11783880 0.69 HTR2B (0.51) ACHEKDM4EMEN1KMT2ATP53

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-105377909-A Ultra-high-molecular-weight polyethylene particles and molded body comprising same TOSOH CORP 2016-03-02 CN disclosed