SCHEMBL7208532

SCHEMBL7208532

NP(=O)(O)OC(=O)[C@H](Cc1ccccc1)N(OCc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.38
ANPEP P15144 2/20 0.38
CTRB1 P17538 2/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
SRR Q9GZT4 1/20 0.35
ACP3 P15309 1/20 0.35
SLC15A1 P46059 1/20 0.34
LTA4H P09960 1/20 0.34
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 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
SCHEMBL6553506 0.86 LAP3 (0.47) LAP3ANPEPSRRACP3ALDH1A1
SCHEMBL7208497 0.86 LAP3 (0.37) LAP3ANPEPSRRACP3ALDH1A1
SCHEMBL7208511 0.84 LAP3 (0.39) LAP3ANPEPCTRB1TSHRSRR
SCHEMBL6555636 0.84 ALDH1A1 (0.38) LAP3TSHRALDH1A1
SCHEMBL20856237 0.75 HSD17B10 (0.40)
SCHEMBL7114956 0.74 LAP3 (0.44) LAP3ANPEPCTRB1PPARGPPARA
SCHEMBL29371149 0.73 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL4748270 0.73 ALPI (0.56) LAP3ANPEPSRRACP3SLC15A1
SCHEMBL29761129 0.73 ALPI (0.56) LAP3ANPEPSRRACP3SLC15A1
Phosphoramidic Acid SCHEMBL1691253 0.72 ALPI (0.54) LAP3ANPEPSRRACP3SLC15A1

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