SCHEMBL10950666

SCHEMBL10950666

CCCCC(CC)C(=O)OC1=C(c2cccc(Cl)c2)C(=O)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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 0.88 GAA (0.40) EHMT2GAAXBP1ATMNPSR1
SCHEMBL10945273 0.88 GAA (0.42) EHMT2GAAXBP1ATMNPSR1
SCHEMBL10950430 0.87 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736180 0.85 L3MBTL1 (0.40) EHMT2GAAXBP1ATMNPSR1
SCHEMBL10944849 0.84 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10947941 0.83 GAA (0.41) EHMT2GAAXBP1ATMNPSR1
SCHEMBL10736061 0.82 GAA (0.39) EHMT2GAAXBP1ATMNPSR1
SCHEMBL11127856 0.79 NPSR1 (0.40) EHMT2GAAXBP1ATMNPSR1
SCHEMBL10946106 0.79 PGR (0.42) HSP90AA1HSP90AB1PGRCA1CA2
SCHEMBL10735333 0.78 GAA (0.41) EHMT2GAAXBP1ATMNPSR1

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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