SCHEMBL3633797

SCHEMBL3633797

COC(OC)P(=O)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CFTR P13569 1/20 0.43
POLB P06746 2/20 0.43
ACP3 P15309 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 1/20 0.41
LAP3 P28838 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SRC P12931 2/20 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
SCHEMBL6077584 0.78 L3MBTL1 (0.62) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL7387166 0.76 CA2 (0.54) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL1561766 0.75 L3MBTL1 (0.44) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL1561771 0.75 ACP3 (0.39) ALDH1A1POLBACP3TSHRLAP3
SCHEMBL28681518 0.74 CA2 (0.52) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL5820354 0.72 ALDH1A1 (0.53) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL344018 0.71 CA2 (0.54) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL15648979 0.71 CFTR (0.48) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL4422390 0.71 CA2 (0.48) CA2CA4CA5AL3MBTL1ALDH1A1
SCHEMBL4007357 0.71 CA2 (0.45) CA2CA4CA5AALDH1A1CFTR

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-2170912-B3 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NAT RECH SCIENT (FR) 2022-06-15 EP disclosed
EP-2170912-A1 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME Centre National de la Recherche Scientifique (FR) 2010-04-07 EP disclosed
WO-2009004096-A1 NEW PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-01-08 WO disclosed