SCHEMBL8091469

SCHEMBL8091469

COC12CCC(c3ccc(CC(=O)N[CH]CCCNC(=N)N)cc3)(CC1)CC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.31
ADRA1B P35368 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 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
SCHEMBL8091474 0.88 ADRA1D (0.40) ADRA1DADRA1AKMT2AHPGDL3MBTL1
SCHEMBL8090129 0.86 ALDH1A1 (0.34) ALDH1A1RAB9A
SCHEMBL8091434 0.86 ALDH1A1 (0.32) ADRA1DADRA1AKMT2AALDH1A1
SCHEMBL8091412 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8090106 0.79 ITGB3 (0.37) ADRA1DADRA1AKMT2AITGB3ITGA2B
SCHEMBL8091473 0.77
SCHEMBL8090137 0.77 NPC1 (0.45) KMT2AALDH1A1HPGDITGB3ITGA2B
SCHEMBL8091494 0.77 SPHK1 (0.34) ALDH1A1HPGDRAB9A
SCHEMBL8090161 0.73 SPHK1 (0.33)
SCHEMBL8083447 0.72 SPHK1 (0.33)

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