SCHEMBL7375529

SCHEMBL7375529

COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc2ccc(OCCCNC(=O)OC(C)(C)C)cn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ SUCNR1 Q9BXA5 6/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL7375525 1.00 CA12 (0.42) CA12CA1CA2CA9SUCNR1
SCHEMBL7379826 0.94 CA12 (0.41) CA12CA1CA2CA9SUCNR1
SCHEMBL7379828 0.94 CA12 (0.41) CA12CA1CA2CA9SUCNR1
SCHEMBL7215515 0.79 CA12 (0.51) CA12CA1CA2CA9SUCNR1
SCHEMBL7222259 0.76 CA12 (0.47) CA12CA1CA2CA9SUCNR1
SCHEMBL7218211 0.76 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL7217990 0.73 CA12 (0.49) CA12CA1CA2CA9SUCNR1
SCHEMBL7215538 0.70 SUCNR1 (0.40) CA12CA1CA2CA9SUCNR1
SCHEMBL7222276 0.69 CA12 (0.43) CA12CA1CA2CA9SUCNR1
SCHEMBL7222270 0.69 CA12 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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