SCHEMBL22839937

SCHEMBL22839937

CNc1c(O)ccc(CCN(Cc2ccc(C(=O)O)c(F)c2)C(=O)OC(C)(C)C)c1/C=C\C=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ CXCR3 P49682 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR5 Q9H1C0 1/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ NCOR2 Q9Y618 2/20 0.31
▸ STAT5B P51692 1/20 0.30

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
SCHEMBL22839935 0.91 PPARG (0.36) NAMPTLPAR1HDAC3HDAC1HDAC2
SCHEMBL22839880 0.91 — —
SCHEMBL22839893 0.89 SSTR4 (0.32) STAT3
SCHEMBL22839890 0.88 PTGDR2 (0.31) —
SCHEMBL22839824 0.86 HDAC1 (0.39) NAMPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL22839886 0.86 SSTR4 (0.30) —
SCHEMBL22839961 0.84 NAMPT (0.33) NAMPTLPAR1HDAC3HDAC1HDAC2
SCHEMBL22839951 0.84 NAMPT (0.31) NAMPT
SCHEMBL22839942 0.82 EPHX2 (0.33) EPHX2HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839877 0.82 NAMPT (0.38) NAMPTHDAC3HDAC1HDAC2NCOR2

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-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP disclosed
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