Sugi Predict

Sugi Predict / Compounds / SCHEMBL8091403

SCHEMBL8091403

SCHEMBL8091403

N=C(N)NCCCCC(NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1)OBOC(CCCCNC(=N)N)NC(=O)c1ccc(C23CCC(Cl)(CC2)CC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.34
▸ ITGA2B P08514 4/20 0.34
▸ FOLH1 Q04609 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL8091545 0.97 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL8091406 0.94 ITGB3 (0.33) ITGB3ITGA2BFOLH1CA1CA2
SCHEMBL8091550 0.91 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL8095175 0.87 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL8091492 0.86 CTSB (0.38) ITGB3ITGA2BCA1CA2
SCHEMBL8083517 0.86 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8090090 0.86 NPY4R (0.32) ITGB3ITGA2BCA1CA2
SCHEMBL8083595 0.85 CTSB (0.34) —
SCHEMBL8091585 0.84 SPHK1 (0.31) ITGB3ITGA2B
SCHEMBL8090117 0.83 — —

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 — — EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 — — EP disclosed