SCHEMBL7064348

SCHEMBL7064348

CCCCCCCCOC(=O)C(CCOS(=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
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.42
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL7062439 0.96 L3MBTL1 (0.40) L3MBTL1ESR1LMNATSHRALDH1A1
SCHEMBL7973245 0.95 L3MBTL1 (0.44) L3MBTL1ESR1LMNATSHRALDH1A1
SCHEMBL7973361 0.95 L3MBTL1 (0.42) L3MBTL1ESR1LMNATSHRALDH1A1
SCHEMBL7960164 0.92 L3MBTL1 (0.43) L3MBTL1ESR1LMNATSHRALDH1A1
SCHEMBL7971087 0.91 L3MBTL1 (0.39) L3MBTL1ESR1LMNATSHRALDH1A1
SCHEMBL7065771 0.88 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL7973313 0.85 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL7062455 0.85 ALDH1A1 (0.46) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL7975854 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL7066151 0.83 KMT2A (0.40) LMNAALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed