SCHEMBL7284599

SCHEMBL7284599

CCOC(=O)CCC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(/C(N)=N/O)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.74
▸ ITGA2B P08514 12/20 0.74
▸ MBOAT4 Q96T53 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL8377742 0.87 ITGB3 (0.70) ITGB3ITGA2BMBOAT4
SCHEMBL7296779 0.86 ITGB3 (0.54) ITGB3ITGA2BMBOAT4MEN1KMT2A
Sibrafiban SCHEMBL50759 0.85 ITGB3 (1.00) ITGB3ITGA2BF2SMYD3LMNA
Sibrafiban SCHEMBL27618015 0.85 ITGB3 (1.00) ITGB3ITGA2BF2SMYD3LMNA
SCHEMBL8645304 0.81 ITGB3 (0.73) ITGB3ITGA2BKMT2ASMYD3LMNA
SCHEMBL4434863 0.80 ITGB3 (0.71) ITGB3ITGA2BSMYD3
SCHEMBL5144245 0.80 ITGB3 (0.71) ITGB3ITGA2BSMYD3
SCHEMBL8649064 0.80 ITGB3 (0.71) ITGB3ITGA2BSMYD3
SCHEMBL27403694 0.79 ITGB3 (0.74) ITGB3ITGA2BF2SMYD3
SCHEMBL27544859 0.79 ITGB3 (0.74) ITGB3ITGA2BF2SMYD3

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-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 — — EP disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 — — EP disclosed
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