SCHEMBL7975854

SCHEMBL7975854

CCOC(=O)C(CCCOS(=O)(=O)c1ccccc1[N+](=O)[O-])OS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL7973313 0.97 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAAHIF1AMEN1
SCHEMBL7065771 0.93 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAHIF1AMEN1
SCHEMBL7971087 0.92 L3MBTL1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ATHRB
SCHEMBL7973546 0.90 ALDH1A1 (0.44) L3MBTL1ALDH1A1MEN1KMT2ATHRB
SCHEMBL7973361 0.90 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL7960164 0.89 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ATHRB
SCHEMBL7969761 0.88 KMT2A (0.38) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL7973245 0.88 L3MBTL1 (0.44) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL7976152 0.87 AR (0.41) ALDH1A1GAAMEN1KMT2ATHRB
SCHEMBL7959940 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ATHRB

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-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed