SCHEMBL9681318

SCHEMBL9681318

C#CCN(OCc1ccccc1)C(=O)COc1nc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
PPARA Q07869 1/20 0.36
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
XDH P47989 3/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
EDNRA P25101 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 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
SCHEMBL9680790 0.84 ELANE (0.40) ELANEPPARAXDH
SCHEMBL10831387 0.83 NPC1 (0.42) ELANEPPARAFAAHCES1DAGLA
SCHEMBL9682057 0.80 ELANE (0.42) ELANEPPARAXDH
SCHEMBL9422387 0.75 ELANE (0.39) ELANEPPARAMAPTEDNRA
SCHEMBL9422377 0.74 ELANE (0.41) ELANEL3MBTL1
SCHEMBL9682723 0.74 TLR4 (0.39) XDHMAPTSMN1; SMN2
SCHEMBL9681662 0.74 SLC6A2 (0.40) MAPTTSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL2539650 0.73 MEN1 (0.50) ELANEPPARANPC1RAB9AMAPT
SCHEMBL9680236 0.73 ALDH1A1 (0.50) MAPTTSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9565614 0.73 ELANE (0.46) ELANEFAAHCES1DAGLANPC1

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
EP-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP disclosed