SCHEMBL3455284

SCHEMBL3455284

CCCCCCCCCCCOOOOC(N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.39
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA9 Q16790 7/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
HTT P42858 2/20 0.36
EPHX1 P07099 1/20 0.34
THRB P10828 2/20 0.33
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL715456 0.94 DNM1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL4216585 0.94 DNM1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL1809443 0.94 DNM1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL7717593 0.85 DNM1 (0.43) DNM1CA1CA2CA9CA12
SCHEMBL642173 0.85 DNM1 (0.43) DNM1CA1CA2CA9CA12
SCHEMBL31441390 0.85 DNM1 (0.43) DNM1CA1CA2CA9CA12
SCHEMBL3389687 0.82 DNM1 (0.36) DNM1CA1CA2CA9CA12
SCHEMBL4335355 0.82 DNM1 (0.40) DNM1CA1CA2CA9CA12
SCHEMBL7521674 0.82 THRB (0.50) CA1CA2CA9CA12CA7
SCHEMBL15658576 0.79 THRB (0.47) CA1CA2CA9CA12CA7

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-2196494-B1 Polyamide layer silicate compounds EMS PATENT AG (CH) 2014-03-26 EP claimed
EP-2196494-A1 Polyamide layer silicate compounds EMS-PATENT AG (CH) 2010-06-16 EP claimed
EP-2994508-B1 FILLERS WITH A SURFACE COATING OF WATER-SOLUBLE POLYAMIDES EMS PATENT AG (CH) 2017-01-04 EP disclosed
EP-2196494-B1 Polyamide layer silicate compounds EMS PATENT AG (CH) 2014-03-26 EP disclosed
EP-2196494-A1 Polyamide layer silicate compounds EMS-PATENT AG (CH) 2010-06-16 EP disclosed