SCHEMBL6692606

SCHEMBL6692606

CC(C)OC(=O)C(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 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
Ammonia Solution, Strong SCHEMBL9225347 0.98 TSHR (0.33) TSHRLMNASMN1; SMN2RECQLALOX15
Naphthalene SCHEMBL11516341 0.87 TSHR (0.41) TSHRLMNASMN1; SMN2KDM4ECA12
SCHEMBL28546671 0.86 SLC22A6 (0.34) LMNASMN1; SMN2RECQLALOX15CYP1A2
SCHEMBL28354432 0.85 RECQL (0.33) SMN1; SMN2RECQLALOX15TDP1
SCHEMBL4020730 0.84 RECQL (0.41) TSHRLMNARECQLCA12CA1
SCHEMBL8197440 0.83 CACNA2D1 (0.39) RECQLALOX15CACNA2D1CACNB3CACNA1C
SCHEMBL11658270 0.83 MAPT (0.38) RECQLALOX15KDM4ESLC22A6
SCHEMBL7689631 0.83 CYP1A2 (0.32) RECQLALOX15CYP1A2CACNA2D1CACNB3
SCHEMBL8526917 0.82 RECQL (0.40) TSHRLMNARECQLCA12CA1
SCHEMBL11515105 0.82 MAPT (0.37) RECQLSLC22A6

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
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO disclosed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US disclosed
EP-0799174-B1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE SCHUELKE & MAYR GMBH (DE) 1999-08-18 EP disclosed
EP-0799174-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE SCHÜLKE & MAYR GMBH (DE) 1997-10-08 EP disclosed
WO-1996019428-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE Schülke & Mayr GmbH (DE) 1996-06-27 WO disclosed