SCHEMBL4769846

SCHEMBL4769846

COc1ccccc1-c1cc(C)cc2c1OC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR84 Q9NQS5 1/20 0.38
HTR7 P34969 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLL Q9UGP5 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
GRM2 Q14416 1/20 0.37
HIF1A Q16665 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL4595595 0.88 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EHTR7
SCHEMBL4711431 0.86 TP53 (0.41) ALDH1A1HPGDHSD17B10KDM4EGPR84
SCHEMBL4769844 0.85 HTR7 (0.38) GPR84HTR7HIF1A
SCHEMBL4597003 0.85 GPR84 (0.40) ALDH1A1HPGDHSD17B10KDM4EGPR84
SCHEMBL4596604 0.85 PARP1 (0.45) ALDH1A1HPGDHSD17B10KDM4EGPR84
SCHEMBL6047888 0.84 SMN1; SMN2 (0.40) ALDH1A1HPGDHSD17B10KDM4EGPR84
SCHEMBL4596946 0.83 BRD4 (0.38) ALDH1A1CREBBP
SCHEMBL4597121 0.82 GPBAR1 (0.39) ALDH1A1HPGDHSD17B10KDM4EGPR84
SCHEMBL4224556 0.82 PRKAB2 (0.56) HTR7
SCHEMBL4709866 0.81 PARP1 (0.39) HTR7SMN1; SMN2MEN1NPC1NFKB1

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 11 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
JP-2007509174-A 2007-04-12 JP 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-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION 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