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SCHEMBL8024776

SCHEMBL8024776

CCCCC(C(=O)O)C(=O)OC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C1CC(C)(C)N(OCCC)C(C)(C)C1)C1CC(C)(C)N(OCCC)C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR5A2 O00482 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ HTT P42858 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
SCHEMBL9743047 0.91 GAA (0.33) NR5A2NR5A1GAAXBP1ATM
SCHEMBL25630 0.90 GAA (0.33) NR5A2NR5A1GAAXBP1ATM
SCHEMBL9744003 0.86 PPARG (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL5795097 0.86 GAA (0.34) NR5A2NR5A1GAAXBP1ATM
SCHEMBL2483026 0.78 GAA (0.32) NR5A2NR5A1GAAXBP1ATM
SCHEMBL2319233 0.73 NR5A2 (0.35) NR5A2NR5A1GAAPKMHTT
SCHEMBL1160080 0.70 GAA (0.34) NR5A2NR5A1GAAXBP1ATM
SCHEMBL13505652 0.70 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL7686107 0.68 GAA (0.34) NR5A2NR5A1GAAATMNPSR1
SCHEMBL5030601 0.67 GAA (0.43) NR5A2NR5A1GAAXBP1ATM

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
US-6117995-A OXIDATION OF THE CORRESPONDING HETEROCYCLIC AMINE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-09-12 — — US disclosed