SCHEMBL7217945

SCHEMBL7217945

CC(C)(C)OC(=O)NCCCCOc1ccn2c(=O)cc(C(=O)O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.47
▸ CA1 P00915 7/20 0.47
▸ CA2 P00918 7/20 0.47
▸ CA9 Q16790 7/20 0.47
▸ BRD4 O60885 2/20 0.41
▸ SUCNR1 Q9BXA5 7/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL7216150 0.99 CA12 (0.48) CA12CA1CA2CA9BRD4
SCHEMBL7215916 0.97 CA12 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL7216544 0.86 CA12 (0.50) CA12CA1CA2CA9BRD4
SCHEMBL7217838 0.83 CA12 (0.49) CA12CA1CA2CA9BRD4
SCHEMBL7216596 0.80 CA12 (0.48) CA12CA1CA2CA9SUCNR1
SCHEMBL7215536 0.79 ITGB3 (0.44) CA12CA1CA2CA9SUCNR1
SCHEMBL7215543 0.79 ITGB3 (0.44) CA12CA1CA2CA9SUCNR1
SCHEMBL7217925 0.79 ITGB3 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL7217933 0.79 ITGB3 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL7215547 0.77 CA12 (0.49) CA12CA1CA2CA9BRD4

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
US-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 — — US disclosed
EP-1115724-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2001-07-18 — — EP disclosed
WO-2000017197-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS BIOCHEM PHARMA INC. (US) 2000-03-30 — — WO disclosed
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