SCHEMBL19463

SCHEMBL19463

CCCCOS(=O)(=O)[O-].CCc1[nH]cc[n+]1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.45
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL14334671 0.95 RECQL (0.54) RECQLTSHRGLAHPGDMAPK1
SCHEMBL3036161 0.95 RECQL (0.54) RECQLTSHRGLAHPGDMAPK1
SCHEMBL61171 0.85
SCHEMBL5961715 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL5961710 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL2453688 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL5961714 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL5961699 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL20288 0.85 RECQL (0.53) RECQLTSHRGLAHPGDMAPK1
SCHEMBL5685588 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723847-A1 LIQUID SALT CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2014-04-30 EP claimed
WO-2012177277-A1 LIQUID SALT CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-12-27 WO claimed
EP-2723847-A1 LIQUID SALT CLEANING COMPOSITIONS Colgate-Palmolive Company (US) 2014-04-30 EP disclosed
WO-2012177277-A1 LIQUID SALT CLEANING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-12-27 WO disclosed
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed