SCHEMBL4419653

SCHEMBL4419653

COS(=O)(=O)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.68
GAA P10253 2/20 0.68
STS P08842 1/20 0.68
CA12 O43570 10/20 0.66
CA9 Q16790 10/20 0.66
CA1 P00915 9/20 0.66
CA6 P23280 4/20 0.66
CA7 P43166 4/20 0.66
CA14 Q9ULX7 4/20 0.66
CA4 P22748 4/20 0.66
CA5A P35218 3/20 0.66
KDM4E B2RXH2 3/20 0.66
CA3 P07451 2/20 0.66
ALDH1A1 P00352 2/20 0.66
AKR1B1 P15121 1/20 0.66
HPGD P15428 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MAOB P27338 1/20 0.61
CA5B Q9Y2D0 3/20 0.56
CYP1A2 P05177 1/20 0.56

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
7-Methanesulfonyloxycoumarin SCHEMBL10851014 0.84 GAA (0.71) GLAGAASTSCA12CA9
SCHEMBL29969239 0.82 GLA (0.61) GLAGAASTSCA12CA9
SCHEMBL17318081 0.81 GLA (0.71) GLAGAASTSCA12CA9
SCHEMBL561434 0.81 GLA (1.00) GLAGAASTSCA12CA9
SCHEMBL10848120 0.80 GLA (0.66) GLAGAASTSCA12CA9
Herniarin SCHEMBL17629468 0.80 CA12 (1.00) GLAGAASTSCA12CA9
Herniarin SCHEMBL61221 0.80 CA12 (1.00) GLAGAASTSCA12CA9
Herniarin SCHEMBL29437733 0.80 CA12 (1.00) GLAGAASTSCA12CA9
Potassium Ion SCHEMBL29669597 0.79 GLA (0.69) GLAGAASTSCA12CA9
Herniarin SCHEMBL17113785 0.78 CA12 (0.96) GLAGAASTSCA12CA9

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
US-20090325206-A1 Method for assaying the activity of lysosomal enzymes GENZYME CORPORATION (US) 2009-12-31 US claimed
EP-1573042-A1 METHOD FOR DETERMINING THE ENZYMATIC STATUS OF HUMAN SKIN IN VITRO Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-14 EP claimed
WO-2004058991-A1 METHOD FOR DETERMINING THE ENZYMATIC STATUS OF HUMAN SKIN IN VITRO HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1573042-A1 METHOD FOR DETERMINING THE ENZYMATIC STATUS OF HUMAN SKIN IN VITRO Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-14 EP disclosed
WO-2004058991-A1 METHOD FOR DETERMINING THE ENZYMATIC STATUS OF HUMAN SKIN IN VITRO HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed