SCHEMBL7212740

SCHEMBL7212740

NP(=O)(O)OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.55
LNPEP Q9UIQ6 1/20 0.54
MMP2 P08253 11/20 0.53
MMP9 P14780 11/20 0.53
MMP8 P22894 11/20 0.53
MMP14 P50281 10/20 0.53
TACR1 P25103 3/20 0.52
NMBR P28336 1/20 0.52
MME P08473 2/20 0.51
MMP11 P24347 2/20 0.51
MMP7 P09237 1/20 0.50

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
SCHEMBL4264837 0.85 KMT2A (0.52) ECE1TACR1
SCHEMBL5379545 0.84 ALOX15 (0.59) ECE1LNPEPMMP2MMP9NMBR
SCHEMBL5379543 0.84 ALOX15 (0.59) ECE1LNPEPMMP2MMP9NMBR
SCHEMBL7207869 0.83 NPC1 (0.46) ECE1TACR1MME
SCHEMBL7209082 0.83 NPC1 (0.46) ECE1TACR1MME
SCHEMBL27455388 0.77 ACE (0.59) ECE1MMP2MMP9MMP8NMBR
SCHEMBL8862510 0.77 ACE (0.59) ECE1MMP2MMP9MMP8NMBR
SCHEMBL8862514 0.77 ACE (0.59) ECE1MMP2MMP9MMP8NMBR
SCHEMBL10420266 0.76 TACR1 (0.67) LNPEPTACR1NMBR
SCHEMBL1711383 0.76 NMBR (0.73) ECE1MMP2MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed