SCHEMBL1820619

SCHEMBL1820619

CC(C)(C)C(Cc1ccccc1Cl)OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAP3K14 Q99558 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ IDO1 P14902 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAAR1 Q96RJ0 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
SCHEMBL11428641 0.81 NPC1 (0.43) PPARGPPARAPOLBPKMCNR1
SCHEMBL19415522 0.81 NPC1 (0.43) PPARGPPARAPOLBPKMCNR1
SCHEMBL23347648 0.80 NPC1 (0.44) PPARGPPARAPOLBPKMNPC1
SCHEMBL19254234 0.80 NPC1 (0.44) PPARGPPARAPOLBPKMNPC1
SCHEMBL28652308 0.78 SRR (0.45) PPARGPPARAPOLBPKMNPC1
SCHEMBL15082799 0.78 ALDH1A1 (0.46) PPARGPPARAPOLBPKMNPC1
SCHEMBL5769266 0.74 PPARG (0.51) PPARGPPARAPOLBPKMNPC1
SCHEMBL19415531 0.73 HTT (0.44) PPARGPPARAPKMNPC1ALDH1A1
SCHEMBL29168249 0.72 PPARG (0.47) PPARGPPARAPOLBPKMNPC1
SCHEMBL29168248 0.72 PPARG (0.47) PPARGPPARAPOLBPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315589-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A beta2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-04 — — EP disclosed
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