SCHEMBL7077622

SCHEMBL7077622

COc1cc(C(=CNc2ncccn2)P(=O)(OC(C)C)OC(C)C)cc(OC)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
AURKB Q96GD4 1/20 0.35
P4HB P07237 1/20 0.35
PKM P14618 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34

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
SCHEMBL6313757 1.00 SLC22A12 (0.38) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6313478 1.00 SLC22A12 (0.38) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6306954 0.84 CA12 (0.42) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6306969 0.84 CA12 (0.42) SLC22A12AURKBP4HBPKMCA12
SCHEMBL7078673 0.84 GLA (0.39) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6309422 0.84 GLA (0.39) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6309125 0.84 GLA (0.39) SLC22A12AURKBP4HBPKMCA12
SCHEMBL6307825 0.83 TSHR (0.36) LMNAKMT2AMAPTMEN1GAA
SCHEMBL6312743 0.83 TSHR (0.36) LMNAKMT2AMAPTMEN1GAA
SCHEMBL6307228 0.82 LMNA (0.48) LMNAKMT2AMAPTMEN1GAA

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
CN-1489596-A Alpha-substituted beta-aminoethylphosphonates �Ʒ� 2004-04-14 CN disclosed
EP-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP disclosed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 WO disclosed