SCHEMBL7214128

SCHEMBL7214128

COc1ccc(C[C@H](NOCc2ccccc2)C(=O)OP(N)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
F2 P00734 1/20 0.48
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
KMT2A Q03164 1/20 0.46
FPR2 P25090 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
LTA4H P09960 1/20 0.45
MMP1 P03956 2/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ATM Q13315 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
LDHA P00338 1/20 0.43

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
SCHEMBL7209082 0.92 NPC1 (0.46) NPC1RAB9AANPEP
SCHEMBL7207869 0.92 NPC1 (0.46) NPC1RAB9AANPEP
SCHEMBL7212770 0.84 CTSK (0.46) NPC1RAB9A
SCHEMBL7212869 0.84 CTSK (0.46) NPC1RAB9A
SCHEMBL10004489 0.83 RAB9A (0.49) NPC1RAB9AF2KMT2AFPR2
SCHEMBL7207876 0.81 NPC1 (0.43) NPC1RAB9A
SCHEMBL7212742 0.80 HPRT1 (0.39) ANPEPERAP2KMT2A
SCHEMBL28460302 0.80 TACR1 (0.43) NPC1RAB9A
SCHEMBL4265208 0.78 NPC1 (0.47) NPC1RAB9A
SCHEMBL7214212 0.78 NPC1 (0.47) NPC1RAB9A

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