SCHEMBL264185

SCHEMBL264185

C=C(C)C(=O)OCCOC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 4/20 0.40
CA12 O43570 5/20 0.38
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL20494732 0.84 TDP1 (0.47) THRBTSHRCA12CA2CA1
SCHEMBL262736 0.84 TDP1 (0.47) THRBTSHRCA12CA2CA1
SCHEMBL262734 0.84 IDO1 (0.40) THRBTSHRCA12CA2CA1
SCHEMBL13587939 0.83 THRB (0.51) THRBTSHRCA12CA2CA1
SCHEMBL12151441 0.83 THRB (0.51) THRBTSHRCA12CA2CA1
SCHEMBL3906055 0.83 THRB (0.51) THRBTSHRCA12CA2CA1
SCHEMBL31341432 0.81 CA12 (0.55) THRBTSHRCA12CA2CA1
SCHEMBL15128194 0.79 THRB (0.54) THRBTSHRALDH1A1GAA
SCHEMBL18360370 0.79 TDP1 (0.46) CA12CA2CA1CA9TDP1
SCHEMBL22829704 0.79 CA12 (0.62) TSHRCA12CA2CA1CA9

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 19 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-2443486-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-03-01 EP disclosed
EP-2443482-B1 BIOMEDICAL DEVICES, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING THE SAME. 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-2443485-A2 BIOMEDICAL DEVICES Bausch & Lomb Incorporated (US) 2012-04-25 EP disclosed
EP-2443482-A2 BIOMEDICAL DEVICES Bausch & Lomb Incorporated (US) 2012-04-25 EP 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
WO-2010147864-A2 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2010-12-23 WO disclosed
WO-2010147876-A2 BIOMEDICAL DEVICES 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
US-20100315588-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed