SCHEMBL8091548

SCHEMBL8091548

NCCC[C@H](NC(=O)c1cccc(C23CCC(O)(CC2)CC3)c1)OBO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
CTSB P07858 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL8091543 0.93 HPGDS (0.32) HPGDSTAS1R3TAS1R1CTSBFNTA
SCHEMBL8090201 0.89 TAS1R3 (0.33) TAS1R3TAS1R1FNTAFNTB
SCHEMBL8083498 0.88 CTSB (0.34) HPGDSCTSB
SCHEMBL8083411 0.87 F10 (0.34)
SCHEMBL8090199 0.82 TAS1R3 (0.34) TAS1R3TAS1R1FNTAFNTB
SCHEMBL8083495 0.80 CTSB (0.35) HPGDSCTSB
SCHEMBL8083409 0.80 F10 (0.34) FNTAFNTB
SCHEMBL8095195 0.77 F10 (0.33) TAS1R3TAS1R1FNTAFNTB
SCHEMBL8097871 0.77 CTSB (0.34) HPGDSCTSB
SCHEMBL8091556 0.77 CTSB (0.33) HPGDSTAS1R3TAS1R1CTSB

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