Cyanate

Cyanate

SCHEMBL27635992

CC(C)c1ccccc1-c1ccc(O)cc1.N#CO

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43
BCR P11274 2/20 0.43
GABRA1 P14867 3/20 0.42
GABRB2 P47870 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
PDE10A Q9Y233 1/20 0.40
TRPA1 O75762 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1513629 0.91 CA1 (0.56) ESR2CA1CA2CA12CA9
Oxirane SCHEMBL28242449 0.83 CA1 (0.49) ESR2CA1CA2CA12CA9
Phenol SCHEMBL27755814 0.82 CA1 (0.50) ESR2CA1CA2CA12CA9
SCHEMBL3264500 0.80 ABL1 (0.50) ESR2CA1CA2CA12CA9
SCHEMBL15837550 0.79 CA12 (0.51) ESR2CA1CA2CA12CA9
SCHEMBL9513577 0.78 ABL1 (0.48) ESR2CA1CA2CA12CA9
SCHEMBL28292946 0.77 ABL1 (0.47) ESR2CA1CA2CA12CA9
SCHEMBL1758175 0.75 ABL1 (0.54) ESR2ABL1ABCB1BCRHPGD
SCHEMBL22589013 0.75 CA12 (0.59) CA1CA2CA12CA9GABRA1
SCHEMBL4630689 0.75 GABRA1 (0.47) ESR2CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099431-A Multilayer uv-curable adhesive film HENKEL CORP 2011-06-15 CN disclosed
CN-1808692-A Hot-melt underfill composition and methos of coating NAT STARCH CHEM INVEST (US) 2006-07-26 CN disclosed