SCHEMBL7959940

SCHEMBL7959940

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
THRB P10828 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.40
SLC10A6 Q3KNW5 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL7973546 0.97 ALDH1A1 (0.44) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7062455 0.92 ALDH1A1 (0.46) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7973313 0.90 L3MBTL1 (0.52) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7969864 0.89 L3MBTL1 (0.41) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7960164 0.89 L3MBTL1 (0.43) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7973245 0.88 L3MBTL1 (0.44) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7975832 0.87 L3MBTL1 (0.39) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7975854 0.87 L3MBTL1 (0.47) ALDH1A1L3MBTL1F2PRSS1PRSS2
SCHEMBL7970022 0.86 AR (0.41) ALDH1A1L3MBTL1THRBCA1CA2
SCHEMBL7969761 0.86 KMT2A (0.38) ALDH1A1L3MBTL1F2PRSS1PRSS2

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