SCHEMBL28119573

SCHEMBL28119573

CCCCCNC1c2ccccc2-c2cc(C(=O)OC)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MGLL Q99685 4/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
PDK2 Q15119 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRM2 Q14416 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MDH1 P40925 1/20 0.38

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
SCHEMBL28119569 0.89 BCHE (0.53) BCHEACHEGAAMAPTMEN1
SCHEMBL3259666 0.80 BCHE (0.89) BCHEACHEMEN1KMT2AHTR2C
SCHEMBL26116182 0.78 PDK2 (0.47) GAAMAPTPDK2KDM4EALDH1A1
SCHEMBL26120364 0.76 HTR2B (0.56) GAAMAPTPDK2L3MBTL1MAPK1
SCHEMBL30571876 0.76 PDK2 (0.48) GAAMAPTPDK2KDM4EALDH1A1
SCHEMBL26120994 0.76 PDK2 (0.48) GAAMAPTPDK2KDM4EALDH1A1
SCHEMBL22184064 0.76 ACHE (1.00) BCHEACHEMAPTMEN1KMT2A
SCHEMBL30571643 0.73 PDK2 (0.45) GAAPDK2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL26121493 0.73 PDK2 (0.45) GAAPDK2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL15124846 0.71 BCHE (0.41) BCHEACHEMGLLGAAMAPT

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-106459068-B Novel compositions, uses and processes for their preparation 皮梅拉股份有限公司 2019-01-22 CN disclosed
CN-106459068-A Novel compositions, uses and processes for their preparation 皮梅拉股份有限公司 2017-02-22 CN disclosed