SCHEMBL4596846

SCHEMBL4596846

Cc1cccc(C)c1-c1cccc2c1CC(C)O2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
MAOA P21397 13/20 0.43
MAOB P27338 6/20 0.43
ACHE P22303 1/20 0.41
POLL Q9UGP5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39

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
SCHEMBL7947753 0.85 KDM4E (0.47) KDM4ETSHRMAOAMAOBACHE
SCHEMBL4596842 0.81 ACHE (0.37) KDM4ETSHRMAOBACHEBRD4
SCHEMBL4223650 0.80 PRKAB2 (0.37) MAOAACHE
SCHEMBL1285321 0.77 PARP1 (0.45) KDM4ETSHRMAOAMAOBPOLL
SCHEMBL30964228 0.76 BRD4 (0.45) KDM4EMAOAMAOBPOLLALDH1A1
SCHEMBL7609607 0.76 BRD4 (0.45) KDM4EMAOAMAOBPOLLALDH1A1
SCHEMBL4596565 0.75 PARP1 (0.53) KDM4ETSHRMAOAMAOBACHE
SCHEMBL13894882 0.73 AKR1B1 (0.42) KDM4ETSHRMAOAMAOBPOLL
SCHEMBL5543882 0.73 BRD4 (0.45) KDM4ETSHRMAOAMAOBPOLL
SCHEMBL3694108 0.73 BRD4 (0.41) KDM4ETSHRMAOAMAOBPOLL

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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 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