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Sugi Predict / Compounds / SCHEMBL8095460

SCHEMBL8095460

SCHEMBL8095460

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL8098042 0.87 NOS3 (0.33) ALDH1A1HPGDHTTRAB9A
SCHEMBL8091556 0.84 CTSB (0.33) ALDH1A1HPGDHTTRAB9A
SCHEMBL8091681 0.84 L3MBTL1 (0.32) ALDH1A1HPGDHTTRAB9A
SCHEMBL8083597 0.83 L3MBTL1 (0.31) HTT
SCHEMBL8090092 0.81 NPY4R (0.31) ALDH1A1
SCHEMBL8098037 0.80 NOS3 (0.33) ALDH1A1HPGDHTTRAB9A
SCHEMBL8090147 0.78 SIGMAR1 (0.30) —
SCHEMBL8091555 0.77 CTSB (0.33) ALDH1A1HPGDHTTRAB9A
SCHEMBL8091676 0.77 L3MBTL1 (0.32) ALDH1A1HPGDHTTRAB9A
SCHEMBL8083593 0.76 L3MBTL1 (0.32) ALDH1A1HPGDHTTRAB9A

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