SCHEMBL10901782

SCHEMBL10901782

CCCCC(CC)C(=O)OC1=C(c2ccccc2C)C(=O)C2CCCCC12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CTSK P43235 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10946579 0.81 NPSR1 (0.38) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11127856 0.73 NPSR1 (0.40) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL10898093 0.71 GAA (0.40) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL27133241 0.70 CA2 (0.50) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL10946356 0.69 CA2 (0.41) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL11453111 0.68 GAA (0.38) ATMGAAXBP1NPSR1L3MBTL1
O-Xylene SCHEMBL27721328 0.68 CA2 (0.50) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL20519779 0.67 KDM4E (0.47) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL17938465 0.67 CA2 (0.56) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL2294906 0.66 L3MBTL1 (0.59) ATMGAAXBP1NPSR1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
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