SCHEMBL262217

SCHEMBL262217

C=CN(CCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
EPHX1 P07099 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
IDO1 P14902 2/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22729205 0.78 TDP1 (0.45) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25402997 0.77 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12482641 0.76 TDP1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25963695 0.75 TDP1 (0.45) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18938501 0.75 TDP1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13055395 0.74 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1979026 0.74 TDP1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24215258 0.74 MEN1 (0.42) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7154749 0.74 MEN1 (0.42) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3792861 0.73 TDP1 (0.50) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443485-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-11-08 EP disclosed
EP-2443482-B1 BIOMEDICAL DEVICES, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING THE SAME. BAUSCH & LOMB (US) 2017-03-01 EP disclosed
EP-2443486-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-03-01 EP disclosed
EP-2443483-B1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME. BAUSCH & LOMB (US) 2016-03-23 EP disclosed
US-9285508-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2016-03-15 US disclosed
EP-2443483-A1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME Bausch & Lomb Incorporated (US) 2012-04-25 EP disclosed
EP-2443486-A2 BIOMEDICAL DEVICES Bausch & Lomb Incorporated (US) 2012-04-25 EP disclosed
US-8133960-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-8083348-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2011-12-27 US disclosed
WO-2010147875-A2 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2010-12-23 WO disclosed
WO-2010147865-A1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME BAUSCH & LOMB INCORPORATED (US) 2010-12-23 WO disclosed
US-20100317816-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100318185-A1 Biomedical Devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100317817-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed