SCHEMBL872699

SCHEMBL872699

COCCc1c(O)ccc(C)c1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL900006 0.85 KMT2A (0.35) MEN1KMT2ACA12CA1CA2
SCHEMBL7604874 0.84 IGF1R (0.36) ALDH1A1CA2LMNAGLAGAA
SCHEMBL9568441 0.84 HPGD (0.31) HPGD
SCHEMBL8443514 0.81 HPGD (0.41) ALDH1A1MEN1KMT2ACA2KDM4E
SCHEMBL4208635 0.78 ESR1 (0.39) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL7071459 0.78 TYR (0.44) ALDH1A1MEN1KMT2ACA2KDM4E
SCHEMBL11458697 0.78 TYR (0.44) ALDH1A1MEN1KMT2ACA2KDM4E
SCHEMBL9364131 0.77 LTA4H (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL10618792 0.76 HPGD (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL9028592 0.76 NR3C1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619591-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
EP-2619590-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 WO disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed