SCHEMBL7214122

SCHEMBL7214122

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 4/20 0.42
CTSK P43235 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL7208522 0.89 NPC1 (0.44) CTSLCTSBCTSSMMEECE1
SCHEMBL7212923 0.89 NPC1 (0.44) CTSLCTSBCTSSMMEECE1
SCHEMBL4265208 0.84 NPC1 (0.47) RAB9ANPC1HSD17B10
SCHEMBL7214212 0.84 NPC1 (0.47) RAB9ANPC1HSD17B10
SCHEMBL7445411 0.80 CTSB (0.48) CTSLCTSBCTSSMMEECE1
SCHEMBL7207876 0.80 NPC1 (0.43) CTSLCTSSRAB9ACTSKNPC1
SCHEMBL7212869 0.80 CTSK (0.46) CTSLCTSBCTSSRAB9ACTSK
SCHEMBL7212770 0.80 CTSK (0.46) CTSLCTSBCTSSRAB9ACTSK
SCHEMBL10004508 0.79 RAB9A (0.46) CTSLCTSBCTSSMMEECE1
SCHEMBL30547455 0.79 ELANE (0.44) CTSLCTSBCTSSMMEECE1

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