SCHEMBL10950430

SCHEMBL10950430

CCCCC(CC)C(=O)OC1=C(c2ccc(Cl)c(Cl)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SRC P12931 4/20 0.34
▸ PGR P06401 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL10945092 0.89 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950666 0.87 EHMT2 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10944849 0.87 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10947941 0.86 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10945273 0.85 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736180 0.83 L3MBTL1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736061 0.83 GAA (0.39) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950579 0.81 HPGD (0.41) NPSR1L3MBTL1SRCPGRSLC6A4
SCHEMBL10947522 0.79 PGR (0.42) SRCPGRSLC6A3
SCHEMBL10735333 0.78 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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