SCHEMBL7062455

SCHEMBL7062455

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
THRB P10828 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SLC10A6 Q3KNW5 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39

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 0.93 ALDH1A1 (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7959940 0.92 ALDH1A1 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7065771 0.90 L3MBTL1 (0.47) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7066685 0.89 KMT2A (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7062439 0.87 L3MBTL1 (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7064585 0.86 KMT2A (0.40) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7067318 0.85 AR (0.43) ALDH1A1THRBCA1CA2MMP1
SCHEMBL7064348 0.85 L3MBTL1 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7060919 0.85 THRB (0.37) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7066151 0.84 KMT2A (0.40) ALDH1A1F2PRSS1PRSS2PRSS3

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