SCHEMBL7212869

SCHEMBL7212869

CC(C)C[C@@H](NOCc1ccccc1)C(=O)OP(N)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL7212770 1.00 CTSK (0.46) CTSKNPC1RAB9AHSD17B10CTSS
SCHEMBL28449915 0.88 CTSK (0.46) CTSKHSD17B10CTSSCTSLCTSB
SCHEMBL7209082 0.86 NPC1 (0.46) CTSKNPC1RAB9ACTSSCTSL
SCHEMBL7207869 0.86 NPC1 (0.46) CTSKNPC1RAB9ACTSSCTSL
SCHEMBL7207876 0.85 NPC1 (0.43) CTSKNPC1RAB9ACTSSCTSL
SCHEMBL7214212 0.85 NPC1 (0.47) NPC1RAB9AHSD17B10
SCHEMBL4265208 0.85 NPC1 (0.47) NPC1RAB9AHSD17B10
SCHEMBL7214128 0.84 NPC1 (0.53) NPC1RAB9A
SCHEMBL7208522 0.82 NPC1 (0.44) CTSKNPC1RAB9ACTSSCTSL
SCHEMBL7212923 0.82 NPC1 (0.44) CTSKNPC1RAB9ACTSSCTSL

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