SCHEMBL22280882

SCHEMBL22280882

COc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c(OCCCCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
SUCNR1 Q9BXA5 7/20 0.48
FAAH O00519 2/20 0.47
DRD3 P35462 2/20 0.47
DRD2 P14416 2/20 0.45
CACNA1G O43497 2/20 0.44
PDK2 Q15119 1/20 0.44
PTPN1 P18031 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 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
SCHEMBL30504174 0.90 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL22280681 0.90 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL22280880 0.90 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL30504190 0.90 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL22280542 0.89 CA12 (0.52) CA12CA1CA2CA9SUCNR1
SCHEMBL30504195 0.89 CA12 (0.52) CA12CA1CA2CA9SUCNR1
SCHEMBL23495548 0.87 CA12 (0.49) CA12CA1CA2CA9SUCNR1
SCHEMBL22280842 0.87 CA12 (0.50) CA12CA1CA2CA9SUCNR1
SCHEMBL30504183 0.87 CA12 (0.50) CA12CA1CA2CA9SUCNR1
SCHEMBL22280539 0.85 CA12 (0.48) 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