SCHEMBL7212937

SCHEMBL7212937

CC(C)(NOCc1ccccc1)C(=O)OP(N)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
TSHR P16473 1/20 0.41
CETP P11597 3/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7212927 0.87 S1PR4 (0.38) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL4268814 0.80 ELANE (0.40) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL12496567 0.78 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL7207839 0.77 KCNN4 (0.38) PTPN1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1811808 0.76 RAB9A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7214230 0.73 NPC1 (0.50) NPC1RAB9ATSHRCETPALDH1A1
SCHEMBL7214212 0.73 NPC1 (0.47) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL4265208 0.73 NPC1 (0.47) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL7212923 0.71 NPC1 (0.44) NPC1RAB9A
SCHEMBL7208522 0.71 NPC1 (0.44) 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