SCHEMBL7971325

SCHEMBL7971325

COC(=O)C(CCCOS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 3/20 0.32
CA12 O43570 2/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL7973197 0.95 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7066030 0.90 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7960066 0.85 ALDH1A1 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7971095 0.84 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7969892 0.83 ALDH1A1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6772350 0.81 FOLH1 (0.35) ALDH1A1CA1CA2CA14CA12
SCHEMBL7976055 0.81 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7971358 0.80 TSHR (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7973393 0.80 ALDH1A1 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7971310 0.78 TSHR (0.44) KDM4EUSP2ALDH1A1LMNAMMP9

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