SCHEMBL5144950

SCHEMBL5144950

C[C@H](NOCc1ccccc1)C(=O)OP(=O)(O)OBr

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
CA9 Q16790 1/20 0.41
ELANE P08246 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38

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
SCHEMBL7701970 0.87 NPC1 (0.45) TSHRNPC1RAB9ACA1CA2
SCHEMBL5142558 0.87 NPC1 (0.45) TSHRNPC1RAB9ACA1CA2
SCHEMBL29779150 0.86 ELANE (0.49) TSHRNPC1RAB9ACA1CA2
SCHEMBL27710787 0.86 ELANE (0.49) TSHRNPC1RAB9ACA1CA2
SCHEMBL7701967 0.85 NPC1 (0.46) NPC1RAB9ACA1CA2MMP2
SCHEMBL4282571 0.84 CA1 (0.46) TSHRNPC1RAB9ACA1CA2
SCHEMBL7214212 0.84 NPC1 (0.47) TSHRNPC1RAB9ACA1CA2
SCHEMBL4265208 0.84 NPC1 (0.47) TSHRNPC1RAB9ACA1CA2
SCHEMBL4282703 0.84 CA1 (0.46) TSHRNPC1RAB9ACA1CA2
SCHEMBL27536452 0.84 CA1 (0.46) TSHRNPC1RAB9ACA1CA2

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-1594976-A4 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INST (US) 2007-11-07 EP disclosed
EP-1594976-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS Parker Hughes Institute (US) 2005-11-16 EP disclosed
WO-2004040002-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INSTITUTE (US) 2004-05-13 WO disclosed
EP-1090018-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY Parker Hughes Institute (US) 2001-04-11 EP disclosed
WO-2000000501-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY PARKER HUGHES INSTITUTE (US) 2000-01-06 WO disclosed