SCHEMBL4597398

SCHEMBL4597398

[CH2]C1Cc2cc(OC)cc(-c3ccccc3C)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
AR P10275 1/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP26A1 O43174 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP24A1 Q07973 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
SCHEMBL4597017 0.90 LMNA (0.38) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4596870 0.87 DRD1 (0.37) LMNAMAPTABCG2ABCB1AR
SCHEMBL4711430 0.87 HTR7 (0.38) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4711420 0.86 MAOB (0.35) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4596547 0.86 MAPT (0.40) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4595485 0.86 MAPK14 (0.41) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4597402 0.85 KDM4E (0.39) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL4596943 0.83 HTR7 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL4226195 0.82 PRKAB2 (0.51) LMNAMAPTALDH1A1HPGDKDM4E
SCHEMBL5606147 0.82 LMNA (0.35) LMNAMAPTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed