SCHEMBL2489301

SCHEMBL2489301

O=CCc1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
TP53 P04637 3/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3723768 0.82 NOTUM (0.43) RAB9ANPC1TP53THRBALDH1A1
SCHEMBL4326240 0.81 NOTUM (0.55) RAB9ANPC1TP53THRBPOLB
SCHEMBL1544808 0.80 NOTUM (0.69) RAB9ANPC1TP53THRBPOLB
SCHEMBL4060427 0.80 RAB9A (0.50) RAB9ANPC1TP53THRBPOLB
SCHEMBL2963178 0.80 RAB9A (0.50) RAB9ANPC1TP53THRBPOLB
SCHEMBL27613703 0.80 TP53 (0.47) RAB9ANPC1TP53THRBPOLB
SCHEMBL5559631 0.79 POLB (0.46) RAB9ANPC1TP53POLBALDH1A1
SCHEMBL1844414 0.78 NOTUM (0.53) RAB9ANPC1TP53THRBPOLB
SCHEMBL27591767 0.78 RAB9A (0.48) RAB9ANPC1TP53THRBPOLB
SCHEMBL2904235 0.77 TP53 (0.47) RAB9ANPC1TP53THRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379514-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANOL AstraZeneca AB (SE) 2011-10-26 EP claimed
WO-2010071558-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO claimed
EP-2379514-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL]-ETHANOL AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071558-A1 NEW PROCESS FOR THE PREPARATION OF 1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANONE AND (R) -1- [5- (3-CHLORO-PHENYL) - ISOOXAZOL-3-YL] -ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
EP-1536790-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2005-06-08 EP disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
WO-2004014370-A2 OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2004-02-19 WO disclosed