SCHEMBL5880261

SCHEMBL5880261

C=C(N)CC1CC(C(=O)O)=NO1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MIF P14174 3/20 0.37
▸ ITGB3 P05106 3/20 0.33
▸ ITGA2B P08514 3/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ITGAM P11215 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL18935981 0.72 LMNA (0.44) LMNAMIFRAB9AHDAC3HDAC1
SCHEMBL31308703 0.69 LMNA (0.38) LMNAMIFF10
SCHEMBL9936193 0.67 MIF (0.47) LMNAMIFITGB3ITGA2BITGB2
SCHEMBL18935961 0.66 LMNA (0.50) LMNAMIFITGB3ITGA2BRAB9A
SCHEMBL13045925 0.65 — —
SCHEMBL9548274 0.65 POLB (0.46) LMNAITGB3ITGA2B
SCHEMBL18936052 0.64 LMNA (0.48) LMNAMIFITGB3ITGA2BHDAC3
SCHEMBL17490744 0.62 HDAC1 (0.49) LMNAMIFITGB3ITGA2BHDAC3
SCHEMBL7437566 0.62 — —
SCHEMBL15043613 0.61 MIF (0.51) MIFITGB3ITGA2BHDAC6

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 — — US disclosed
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