SCHEMBL10693331

SCHEMBL10693331

CCOC(=O)C(O)=C(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EGLN1 Q9GZT9 1/20 0.36
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
PPARD Q03181 1/20 0.32

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
SCHEMBL14194415 0.85 CA12 (0.39) CA12CA1CA2CA9EGLN1
SCHEMBL6223936 0.82 CA12 (0.40) CA12CA1CA2CA9EGLN1
SCHEMBL4832633 0.75 CA12 (0.44) CA12CA1CA2CA9EGLN1
SCHEMBL12270027 0.75 CYP19A1 (0.49) NR1I2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL5496037 0.73 ALDH1A1 (0.53) EGLN1ALDH1A1TSHRNPSR1GLO1
SCHEMBL18526563 0.72 CA12 (0.41) CA12CA1CA2CA9EGLN1
SCHEMBL5771982 0.72 CA12 (0.41) CA12CA1CA2CA9EGLN1
SCHEMBL1446992 0.72 ALDH1A1 (0.44) CA12CA1CA2CA9EGLN1
SCHEMBL9067107 0.71 GLO1 (0.44) CA12CA1CA2CA9NR1I2
SCHEMBL30229854 0.71 GLO1 (0.44) CA12CA1CA2CA9NR1I2

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-4757127-A Preparation of fluorine derivatives of phosphonic acid ROUSSEL UCLAF (FR) 1988-07-12 US disclosed