SCHEMBL7480447

SCHEMBL7480447

CCOC(COc1ccc(F)cc1OC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.39
NFE2L2 Q16236 2/20 0.39
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FFAR1 O14842 1/20 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
SCHEMBL9631905 0.94 FFAR1 (0.43) KDM4ENFE2L2PTGS1MAPK1LMNA
SCHEMBL29679059 0.94 FFAR1 (0.43) KDM4ENFE2L2PTGS1MAPK1LMNA
SCHEMBL15677622 0.85 KDM4E (0.40) KDM4EGAAMAPTTSHRNFE2L2
SCHEMBL29589229 0.83 ACHE (0.53) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL29559341 0.83 FFAR1 (0.42) KDM4ELMNAHTTKCNH2FFAR1
SCHEMBL19731472 0.83 ACHE (0.53) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL28665291 0.82 ALDH1A1 (0.34) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL1919969 0.82 LMNA (0.54) KDM4EMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL10203021 0.81 KDM4E (0.37) KDM4EGAAMAPTTSHRNFE2L2
SCHEMBL12129028 0.81 KDM4E (0.59) KDM4EGAAMAPTTSHRNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068184-B1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1068184-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6110956-A ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS AMERICAN HOME PRODUCTS CORP. (US) 2000-08-29 US disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed