SCHEMBL640397

SCHEMBL640397

C/C=C/C(=O)OC(C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
CA12 O43570 1/20 0.31
AKR1B10 O60218 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1B1 P15121 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CHRNB2 P17787 3/20 0.31
CHRNA4 P43681 3/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31

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
SCHEMBL11684428 1.00 HCAR2 (0.39) HCAR2CA12AKR1B10CA1CA2
SCHEMBL3134060 0.89 HCAR2 (0.48) HCAR2CA12AKR1B10CA1CA2
SCHEMBL5540486 0.89 HCAR2 (0.48) HCAR2CA12AKR1B10CA1CA2
SCHEMBL11677738 0.81 HCAR2 (0.63) HCAR2
SCHEMBL28123084 0.81 HCAR2 (0.63) HCAR2
SCHEMBL3134084 0.81 HCAR2 (0.63) HCAR2
SCHEMBL690461 0.77
SCHEMBL690460 0.77
SCHEMBL13282549 0.77
SCHEMBL15114 0.76 TSHR (0.43) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US claimed
EP-2207852-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS Bausch & Lomb Incorporated (US) 2010-07-21 EP claimed
WO-2009055226-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-30 WO claimed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US claimed
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US disclosed
CN-101835846-A Silicone hydrogels with amino surface groups BAUSCH & LOMB 2010-09-15 CN disclosed
EP-2207852-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS Bausch & Lomb Incorporated (US) 2010-07-21 EP disclosed
EP-2207852-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS Bausch & Lomb Incorporated (US) 2010-07-21 EP disclosed
WO-2009055226-A8 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB (US) 2009-07-16 WO disclosed
WO-2009055226-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-30 WO disclosed
WO-2009055226-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-30 WO disclosed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-5851422-A Polymeric material for liquid crystal/polymer composite film, record display medium, and use thereof DAI NIPPON PRINTING CO., LTD. (JP) 1998-12-22 US disclosed
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed
US-4060678-A Cationic hydrogels based on hydroxyalkyl acrylates and methacrylates PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-29 US disclosed
US-4058491-A Cationic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-15 US disclosed
US-4009201-A PARTIALLY OR FULLY QUATERNIZED POLYAMINE ESTERS OF ACRYLIC ACIDS ALCOLAC INC. (US) 1977-02-22 US disclosed