SCHEMBL912290

SCHEMBL912290

O=S(=O)(O)CNCc1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.50
ERCC1 P07992 8/20 0.47
ERCC4 Q92889 8/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
RGS12 O14924 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44

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
SCHEMBL107957 0.82 ARG1 (0.63) ARG1ERCC1ERCC4CA1CA2
SCHEMBL13330291 0.82 ADRB2 (0.47) ARG1ERCC1ERCC4CA1CA2
SCHEMBL916840 0.82 ADRB2 (0.47) ARG1ERCC1ERCC4CA1CA2
SCHEMBL11069204 0.76 CA1 (0.54) CA1CA2CA4CA6KDM4E
SCHEMBL10934066 0.75 CA1 (0.52) CA1CA2CA4CA6KDM4E
SCHEMBL12471961 0.75 TRPA1 (0.59) ARG1ERCC1ERCC4CA1CA2
SCHEMBL24773650 0.73 LMNA (0.52) CA1CA2GAAMAPTLMNA
SCHEMBL9090253 0.73 ARG1 (0.53) ARG1ERCC1ERCC4CA1CA2
SCHEMBL107292 0.73 MAPT (0.63) ARG1CA1CA2CA4CA6
SCHEMBL7094740 0.73 ALOX15 (0.57) CA1CA2CA4CA6KDM4E

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-9155694-B2 Stabilized composition comprising at least one adrenergic compound ALK AG (CH) 2015-10-13 US disclosed
EP-2437782-B1 STABILISED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND ALK AG (CH) 2013-07-24 EP disclosed
EP-2437781-B1 STABILISED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND ALK AG (CH) 2013-07-24 EP disclosed
US-20120129944-A1 STABILIZED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND ALK AG (CH) 2012-05-24 US disclosed
EP-2437781-A2 STABILISED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND Alk AG (CH) 2012-04-11 EP disclosed
US-20110003015-A1 STABILIZED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND ALK AG (CH) 2011-01-06 US disclosed
WO-2010139752-A2 STABILISED COMPOSITION COMPRISING AT LEAST ONE ADRENERGIC COMPOUND ALK AG (CH) 2010-12-09 WO disclosed