SCHEMBL7218211

SCHEMBL7218211

CC(C)(C)OC(=O)NCCCCCOc1ccc2ccc(C(=O)O)c(=O)n2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.53
▸ CA1 P00915 7/20 0.53
▸ CA2 P00918 7/20 0.53
▸ CA9 Q16790 7/20 0.53
▸ SUCNR1 Q9BXA5 8/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 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
SCHEMBL7215515 0.96 CA12 (0.51) CA12CA1CA2CA9SUCNR1
SCHEMBL7217990 0.88 CA12 (0.49) CA12CA1CA2CA9SUCNR1
SCHEMBL7222259 0.84 CA12 (0.47) CA12CA1CA2CA9SUCNR1
SCHEMBL7216544 0.81 CA12 (0.50) CA12CA1CA2CA9SUCNR1
SCHEMBL20919690 0.80 CA12 (0.61) CA12CA1CA2CA9SUCNR1
SCHEMBL7217628 0.79 CA12 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL7217633 0.79 CA12 (0.45) CA12CA1CA2CA9SUCNR1
SCHEMBL19475821 0.79 CA12 (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL7379828 0.79 CA12 (0.41) CA12CA1CA2CA9SUCNR1
SCHEMBL7379826 0.79 CA12 (0.41) CA12CA1CA2CA9SUCNR1

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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