SCHEMBL21523050

SCHEMBL21523050

O=P(O)(O)CC(CO)CP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
FOLH1 Q04609 10/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP2 P08253 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL242548 0.83 GABBR2 (0.48) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL22973720 0.73 GABBR2 (0.40) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL20471 0.73
SCHEMBL17459879 0.73
SCHEMBL7648875 0.73 GABBR2 (0.40) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL7961190 0.73 LAP3 (0.48) GABBR2GABBR1FOLH1MMP2
SCHEMBL10892376 0.71
SCHEMBL9263127 0.71 GABBR2 (0.39) GABBR2GABBR1FOLH1KDM4EMMP2
SCHEMBL19211977 0.71 ENPEP (0.44) GABBR2GABBR1FOLH1NAALAD2ANPEP
SCHEMBL3420157 0.71

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
US-20190330489-A1 COMPOSITIONS BASED ON AQUEOUS POLYMER DISPERSIONS COMPRISING N-ALKYLPYRROLIDONES AND USE THEREOF DUKHOPELNIKOV, Dmitry Vasilievich (RU) 2019-10-31 US claimed
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed
US-20190330489-A1 COMPOSITIONS BASED ON AQUEOUS POLYMER DISPERSIONS COMPRISING N-ALKYLPYRROLIDONES AND USE THEREOF DUKHOPELNIKOV, Dmitry Vasilievich (RU) 2019-10-31 US disclosed