SCHEMBL7064408

SCHEMBL7064408

CS(=O)(=O)OCCC(OS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC25B P30305 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL7973318 0.92 ALDH1A1 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL7972991 0.91 ALDH1A1 (0.41) ALDH1A1CA1CA2CA9CA12
SCHEMBL7064266 0.88 CA1 (0.41) ALDH1A1CA1CA2CA9MAPK1
SCHEMBL16979054 0.86 CA1 (0.47) ALDH1A1CA1CA2CA9CA12
SCHEMBL14143485 0.84 LMNA (0.49) ALDH1A1CA1CA2CA9CA12
SCHEMBL7064391 0.83 MAOB (0.36) ALDH1A1L3MBTL1TDP1CYP3A4LMNA
SCHEMBL27969874 0.82 ALDH1A1 (0.45) ALDH1A1CA1CA2CA9CA12
SCHEMBL7067266 0.82 ATM (0.39) ALDH1A1L3MBTL1TDP1KMT2AELANE
SCHEMBL7972855 0.81 PTGES (0.40) ALDH1A1CA1CA2CA9MAPK1
SCHEMBL7068104 0.80 ALDH1A1 (0.40) ALDH1A1CA1CA2CA9CA12

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