SCHEMBL2988813

SCHEMBL2988813

O=P(O)(O)CN(CCc1ccc(O)cc1)CP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
OPRK1 P41145 10/20 0.45
OPRM1 P35372 9/20 0.45
OPRD1 P41143 7/20 0.45
PTPN1 P18031 1/20 0.45
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL16301958 0.88 PTPN1 (0.40) ESR1ESR2OPRK1OPRM1OPRD1
SCHEMBL16301936 0.87 OPRK1 (0.39) ESR1ESR2OPRK1OPRM1OPRD1
SCHEMBL743197 0.84 GFER (0.45) ALDH1A1TDP1ESRRG
SCHEMBL16350495 0.84 CNR2 (0.40) TAAR1L3MBTL1TDP1
SCHEMBL16301895 0.82 ESR1 (0.43) ESR1ESR2OPRK1OPRM1OPRD1
SCHEMBL21754522 0.81 PTPN1 (0.47) ESR1ESR2PTPN1CA2ALDH1A1
SCHEMBL3099077 0.81 DRD2 (0.58) CA2KDM4EALDH1A1HTR1AADRA2A
SCHEMBL13052639 0.80 AOC3 (0.51) ALDH1A1TAAR1
SCHEMBL10252096 0.80 CALM1 (0.41) ESR1ESR2OPRK1OPRM1OPRD1
SCHEMBL16350483 0.77 GFER (0.46) KDM4ECYP2C19ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
JP-2009526755-A 2009-07-23 JP claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US claimed
EP-2341915-B1 PHOSPHORYLATED DENDRIMERS AS ANTIINFLAMMATORY DRUGS CENTRE NAT RECH SCIENT (FR) 2019-03-20 EP disclosed
EP-1771548-B1 USE OF DENDRIMERS TO STIMULATE CELL GROWTH CENTRE NAT RECH SCIENT (FR) 2012-06-27 EP disclosed
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
WO-2010013086-A1 PHOSPHORYLATED DENDRIMERS AS ANTIINFLAMMATORY DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-02-04 WO disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed