SCHEMBL10947941

SCHEMBL10947941

CCCCC(CC)C(=O)OC1=C(c2ccc(C)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

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
▸ EHMT2 Q96KQ7 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL10951017 0.91 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPTHPGDKMT2A
SCHEMBL10945092 0.91 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10945273 0.90 GAA (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10944849 0.89 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10735333 0.86 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10731274 0.86 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950430 0.86 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11127856 0.83 NPSR1 (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10950666 0.83 EHMT2 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11453111 0.82 GAA (0.38) 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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