SCHEMBL19784007

SCHEMBL19784007

CC(C)(C)OC(=O)N(CCc1ccc(O)c2[nH]c(=O)ccc12)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
ADRB2 P07550 13/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ADRB1 P08588 5/20 0.39
NAMPT P43490 1/20 0.36
ADRB3 P13945 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 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
SCHEMBL19784365 0.94 ADRB2 (0.42) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL22839798 0.91 ADRB2 (0.40) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL24404553 0.91 ADRB2 (0.43) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL19784427 0.89 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL19784017 0.89 ADRB2 (0.40) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL24404532 0.88 ADRB2 (0.39) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL19784022 0.88 ADRB2 (0.39) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL19784429 0.88 ADRB2 (0.39) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL24404494 0.87 ADRB2 (0.43) HDAC1HDAC3HDAC2NCOR2ADRB2
SCHEMBL24404434 0.87 ADRB2 (0.37) HDAC1HDAC3HDAC2NCOR2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed