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Sugi Predict / Compounds / SCHEMBL6230968

SCHEMBL6230968

SCHEMBL6230968

CC(C)(C)OC(=O)c1c(N(OC(C)(C)C)C(=O)C(N)=O)sc2c1CCOC2CNC(=O)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5838674 0.86 GPR119 (0.41) GPR119ALDH1A1
SCHEMBL5838347 0.81 GPR119 (0.39) GPR119ALDH1A1
SCHEMBL5837241 0.72 PTPN1 (0.46) ALDH1A1
SCHEMBL5842061 0.71 CTSS (0.44) —
SCHEMBL7536023 0.69 ALDH1A1 (0.38) GPR119ALDH1A1
SCHEMBL6317021 0.66 ADORA1 (0.35) ALDH1A1
SCHEMBL5837645 0.63 ADORA1 (0.34) ALDH1A1
SCHEMBL6315778 0.61 PTPN2 (0.38) ALDH1A1
SCHEMBL5837074 0.61 ADORA1 (0.49) —
SCHEMBL5837844 0.61 HPGD (0.46) ALDH1A1

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
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 — — EP disclosed