SCHEMBL6127785

SCHEMBL6127785

COC1C(CN)OC(O)C(N)C1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRAT O95237 1/20 0.36
▸ CHEK1 O14757 1/20 0.32
▸ GJA1 P17302 1/20 0.32
▸ GJB2 P29033 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL31680339 0.85 OGA (0.37) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL12447497 0.85 OGA (0.37) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL31680388 0.84 OGA (0.32) —
SCHEMBL8021963 0.77 LRAT (0.41) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL5401309 0.77 LRAT (0.41) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL10138500 0.76 MEN1 (0.47) LRATMEN1TSHRALOX15LMNA
SCHEMBL23231183 0.76 LRAT (0.45) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL10870801 0.76 LRAT (0.45) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL2736459 0.76 LRAT (0.45) LRATGJA1GJB2MEN1CYP2C9
SCHEMBL21454659 0.76 LRAT (0.45) LRATGJA1GJB2MEN1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012062996-A1 DERIVATIVES OF 6-AMINO-6-DEOXYGLUCOSAMINE AND USE OF SAME AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2012-05-18 — — WO disclosed
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