SCHEMBL693859

SCHEMBL693859

CNc1cc(OC(C)=O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
LMNA P02545 3/20 0.50
KDM4E B2RXH2 6/20 0.46
GAA P10253 5/20 0.46
GLA P06280 4/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.42
HSP90AA1 P07900 1/20 0.42
POLB P06746 3/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3657487 0.84 ACHE (0.54) ACHELMNAKDM4EGAAGLA
SCHEMBL862851 0.79 ACHE (0.65) ACHELMNAKDM4EGAAGLA
SCHEMBL5682633 0.76 ACHE (0.61) ACHELMNAKDM4EGAAGLA
SCHEMBL12121608 0.76 KDM4E (0.68) ACHELMNAKDM4EGAAGLA
SCHEMBL9228069 0.75 GAA (0.46) ACHELMNAGAAKMT2AMAPT
SCHEMBL1432110 0.74 ACHE (0.59) ACHELMNAKDM4EGAAGLA
SCHEMBL907659 0.74 ACHE (0.59) ACHELMNAKDM4EGAAGLA
SCHEMBL11957057 0.74 ACHE (0.59) ACHELMNAKDM4EGAAGLA
SCHEMBL6304659 0.74 ACHE (0.59) ACHELMNAKDM4EGAAGLA
SCHEMBL14364035 0.74 GAA (0.33) LMNAKDM4EGAAALDH1A1KMT2A

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-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed