SCHEMBL6660044

SCHEMBL6660044

COP(=O)(OC)[C@H](NC(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
ACP3 P15309 5/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL6660475 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1GAAACP3
SCHEMBL6662165 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1GAAACP3
SCHEMBL6663173 0.79 ACP3 (0.51) ACP3NPSR1
SCHEMBL6663140 0.79 ACP3 (0.51) ACP3NPSR1
SCHEMBL6660926 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1GAAACP3
SCHEMBL6658525 0.76 NPSR1 (0.40) ALDH1A1SMN1; SMN2TDP1GAAACP3
SCHEMBL6660313 0.75 GAA (0.45) ALDH1A1SMN1; SMN2TDP1GAATSHR
SCHEMBL6663779 0.73 LAP3 (0.44) ALDH1A1SMN1; SMN2TDP1GAAACP3
SCHEMBL6661782 0.73 GAA (0.43) ALDH1A1SMN1; SMN2TDP1GAATSHR
SCHEMBL28554164 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1GAAACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP claimed
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP claimed
EP-0877028-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEM IND CO (JP) 2004-08-25 EP disclosed
US-6084123-A REACTING AN IMINE WITH A PHOSPHONIC ACID ESTER USING AN ASYMMETRIC CATALYST OF A RARE EARTH METAL/ALKALI METAL-BINAPHTHOL COMPLEX; HYDROGENATION AND ACIDOLYSIS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-07-04 US disclosed
EP-0877028-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 1-AMINOPHOSPHONIC ACID DERIVATIVES AND NOVEL PHOSPHONATE COMPOUNDS HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1998-11-11 EP disclosed