SCHEMBL7976065

SCHEMBL7976065

CS(=O)(=O)OCCCCC(OS(C)(=O)=O)C(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
ELANE P08246 1/20 0.34
FAAH O00519 6/20 0.33
MAPT P10636 1/20 0.33
CTRC Q99895 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7959907 0.96 TDP1 (0.41) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7067266 0.91 ATM (0.39) ALDH1A1TDP1L3MBTL1ATMELANE
SCHEMBL7972991 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7970070 0.82 PTGES (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7959874 0.81 MAPT (0.39) TDP1L3MBTL1ATMMAPTCTRC
SCHEMBL7973318 0.80 ALDH1A1 (0.42) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL7976100 0.79 CYP24A1 (0.37) ALDH1A1LMNATDP1
SCHEMBL7972855 0.79 PTGES (0.40) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL7973197 0.78 KDM4E (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7973159 0.77 MAPT (0.39) TDP1L3MBTL1ATMELANEMAPT

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