SCHEMBL5468129

SCHEMBL5468129

CCC(O)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 4/20 0.42
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
AGER Q15109 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 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
SCHEMBL5468126 1.00 GAA (0.42) GAAALDH1A1CA2CA1MMP1
SCHEMBL1545381 0.86 CA2 (0.47) GAAALDH1A1CA2CA1MMP1
SCHEMBL1545434 0.86 CA2 (0.47) GAAALDH1A1CA2CA1MMP1
SCHEMBL1545377 0.86 CA2 (0.47) GAAALDH1A1CA2CA1MMP1
SCHEMBL16039239 0.83 CA2 (0.42) ALDH1A1CA2CA1MMP9MMP13
SCHEMBL14779262 0.83 GAA (0.46) GAAALDH1A1CA2CA1MMP1
SCHEMBL13105251 0.83 ALDH1A1 (0.40) GAAALDH1A1CA2CA1MMP1
SCHEMBL5551724 0.83 PPARG (0.41) GAAALDH1A1CA2CA1MMP1
SCHEMBL30661638 0.83 CA2 (0.43) GAAALDH1A1CA2CA1MMP1
SCHEMBL8345094 0.81 GAA (0.45) GAAALDH1A1CA2CA1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070026508-A1 Enzymatic method of making 1,2-diol derivatives and their esters ENZYTECH, LTD. (KR) 2007-02-01 US disclosed
WO-2004097026-A1 THE ENZYMATIC METHOD OF MAKING 1,2-DIOL DERIVATIVES AND THEIR ESTERS ENZYTECH, LTD. (KR) 2004-11-11 WO disclosed
EP-0759915-B1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS INC (US) 2002-10-16 EP disclosed
WO-1999033468-A9 METHOD FOR TREATING HYPEROXIA CELL THERAPEUTICS INC (US) 1999-09-23 WO disclosed
WO-1999033468-A1 METHOD FOR TREATING HYPEROXIA CELL THERAPEUTICS, INC. (US) 1999-07-08 WO disclosed
EP-0759915-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1997-03-05 EP disclosed
WO-1995031450-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1995-11-23 WO disclosed