SCHEMBL22280841

SCHEMBL22280841

CCCCCOc1ccc(-c2ccc(-c3ccc(OCCCC)cc3OCCCCCCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
PTPN11 Q06124 2/20 0.47
SUCNR1 Q9BXA5 6/20 0.47
RARB P10826 3/20 0.46
PDK2 Q15119 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL30504181 1.00 CA12 (0.55) CA12CA1CA2CA9PTPN11
SCHEMBL22280684 1.00 CA12 (0.55) CA12CA1CA2CA9PTPN11
SCHEMBL30504172 1.00 CA12 (0.55) CA12CA1CA2CA9PTPN11
SCHEMBL22280843 0.97 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL30504177 0.97 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL22280681 0.95 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL30504190 0.95 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL22280880 0.95 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL30504174 0.95 CA12 (0.53) CA12CA1CA2CA9PTPN11
SCHEMBL22280542 0.94 CA12 (0.52) CA12CA1CA2CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239781-A1 Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US disclosed