SCHEMBL7973313

SCHEMBL7973313

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 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
SCHEMBL7975854 0.97 L3MBTL1 (0.47) L3MBTL1MAPTCRHBPCRHR2HIF1A
SCHEMBL7065771 0.92 L3MBTL1 (0.47) L3MBTL1HIF1AMEN1KMT2ATHRB
SCHEMBL7960164 0.92 L3MBTL1 (0.43) L3MBTL1MAPTCRHBPCRHR2MEN1
SCHEMBL7973245 0.91 L3MBTL1 (0.44) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL7959940 0.90 ALDH1A1 (0.43) L3MBTL1MEN1KMT2ATHRBALDH1A1
SCHEMBL7973361 0.89 L3MBTL1 (0.42) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL7969864 0.88 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATHRBALDH1A1
SCHEMBL7971087 0.88 L3MBTL1 (0.39) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL7970022 0.88 AR (0.41) L3MBTL1MAPTMEN1KMT2ATHRB
SCHEMBL7973546 0.87 ALDH1A1 (0.44) L3MBTL1MEN1KMT2ATHRBALDH1A1

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