SCHEMBL8440337

SCHEMBL8440337

CCCCCCOC(N)(OCCCCCC)OCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.46
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
THRB P10828 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 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
SCHEMBL5793983 0.89 ADRB2 (0.48) DNM1CA1CA2CA9CA12
SCHEMBL9006918 0.82 CA1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL1817037 0.80 CA1 (0.40) DNM1CA1CA2CA9CA12
SCHEMBL28644993 0.80 CA1 (0.40) DNM1CA1CA2CA9CA12
SCHEMBL28468879 0.80 CA1 (0.40) DNM1CA1CA2CA9CA12
SCHEMBL10626082 0.80 CA1 (0.40) DNM1CA1CA2CA9CA12
SCHEMBL2414342 0.79 CA1 (0.39) DNM1CA1CA2CA9CA12
SCHEMBL2583075 0.78 SMPD1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL2577447 0.78 SMPD1 (0.41) DNM1CA1CA2CA9CA12
SCHEMBL2587280 0.78 SMPD1 (0.41) DNM1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594553-B1 Halogen-free cyclic phosphorus-containing flame retardant compounds MONSANTO CO (US) 1999-08-25 EP disclosed
EP-0594553-A1 Halogen-free cyclic phosphorus-containing flame retardant compounds MONSANTO COMPANY (US) 1994-04-27 EP disclosed
US-5276066-A (1,3,2-Dioxaphosphorinanemethan)amine derivatives; for polyurethanes MONSANTO COMPANY (US) 1994-01-04 US disclosed