SCHEMBL8098032

SCHEMBL8098032

COC12CCC(c3ccc(CC(=O)N[C@@H](CCCN)OBO)cc3)(CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CCR1 P32246 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 2/20 0.30
KMT2A Q03164 1/20 0.30
NMT2 O60551 3/20 0.30
NMT1 P30419 3/20 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
SCHEMBL8098021 0.93 ITGB3 (0.33) ITGB3ITGA2BALDH1A1CCR1HTT
SCHEMBL8091556 0.86 CTSB (0.33) ALDH1A1CCR1HTT
SCHEMBL8098117 0.83 CPB2 (0.33) ALDH1A1HTT
SCHEMBL8091549 0.81 TLR2 (0.30)
SCHEMBL8090106 0.81 ITGB3 (0.37) ITGB3ITGA2BKMT2A
SCHEMBL8090201 0.79 TAS1R3 (0.33) ALDH1A1
SCHEMBL8091555 0.79 CTSB (0.33) ALDH1A1CCR1HTT
SCHEMBL8091681 0.76 L3MBTL1 (0.32) ALDH1A1CCR1HTT
SCHEMBL8083597 0.75 L3MBTL1 (0.31) CCR1HTTKMT2A
SCHEMBL8083498 0.74 CTSB (0.34)

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