SCHEMBL7971087

SCHEMBL7971087

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
THRB P10828 1/20 0.37
PKM P14618 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
USP2 O75604 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL7960164 0.97 L3MBTL1 (0.43) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7973361 0.96 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7062439 0.95 L3MBTL1 (0.40) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7973245 0.94 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7975854 0.92 L3MBTL1 (0.47) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7064348 0.91 L3MBTL1 (0.43) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7973313 0.88 L3MBTL1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1THRB
SCHEMBL7973546 0.88 ALDH1A1 (0.44) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL7976215 0.87 KMT2A (0.38) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL7969761 0.86 KMT2A (0.38) L3MBTL1ALDH1A1KMT2AMEN1THRB

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