SCHEMBL8803376

SCHEMBL8803376

COc1cc(C(CCN(C)C)C(N)=O)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.37

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
Hydrochloric Acid SCHEMBL8803116 0.99 AOC3 (0.40) AOC3SCN1ASCN2ASCN3AMAPK1
SCHEMBL8803596 0.86 CYP2D6 (0.47) AOC3MAPK1L3MBTL1LMNADRD2
Hydrochloric Acid SCHEMBL8804774 0.85 KMT2A (0.48) AOC3MAPK1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8806831 0.79 THRB (0.39) MAPK1L3MBTL1LMNACYP2C19SMN1; SMN2
SCHEMBL29276367 0.79 L3MBTL1 (0.43) MAPK1L3MBTL1MAPTTSHRMAPK10
Hydrochloric Acid SCHEMBL8805283 0.78 THRB (0.39) MAPK1L3MBTL1LMNACYP2C19SMN1; SMN2
SCHEMBL10448889 0.76 L3MBTL1 (0.47) SCN1ASCN2ASCN3AMAPK1L3MBTL1
SCHEMBL8803876 0.76 KDM4E (0.54) SCN1ASCN2ASCN3AMAPK1LMNA
Hydrochloric Acid SCHEMBL8804757 0.75 SMN1; SMN2 (0.53) SCN1ASCN2ASCN3AMAPK1LMNA
SCHEMBL8806033 0.75 ATM (0.55) SCN1ASCN2ASCN3AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555481-B1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1997-01-22 EP claimed
US-5498635-A RESPIRATORY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US claimed
US-5401775-A Pulmonary surfactant secretion promoter YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US claimed
EP-0555481-A1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP claimed
US-5633288-A EXPECTORANT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-05-27 US disclosed
EP-0555481-B1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1997-01-22 EP disclosed
US-5498635-A RESPIRATORY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5401775-A Pulmonary surfactant secretion promoter YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
EP-0555481-A1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed