SCHEMBL4596753

SCHEMBL4596753

COc1cccc(-c2cc(C(F)(F)F)cc3c2OC(C)C3)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.42
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
NFE2L2 Q16236 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
TSHR P16473 3/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL4597121 0.90 GPBAR1 (0.39) SMN1; SMN2RAB9ANPSR1GPBAR1KDM4E
SCHEMBL4596751 0.89 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPSR1GPBAR1KDM4E
SCHEMBL4226719 0.86 PRKAB2 (0.53) SMN1; SMN2RAB9ANPSR1GPBAR1KDM4E
SCHEMBL4596849 0.85 PARP1 (0.42) SMN1; SMN2RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL4595595 0.83 ALDH1A1 (0.43) SMN1; SMN2RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL4761049 0.83 AQP1 (0.46) SMN1; SMN2RAB9ANPSR1GPBAR1KDM4E
SCHEMBL4768067 0.82 KDM4E (0.39) SMN1; SMN2RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL4714383 0.81 PRKAB2 (0.44) SMN1; SMN2RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL4595399 0.81 CYP2C19 (0.39) SMN1; SMN2RAB9ANPSR1KDM4EHSD17B10
SCHEMBL4596891 0.80 THRB (0.39) GPBAR1HTR7MAOBCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP 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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
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
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed