SCHEMBL7207845

SCHEMBL7207845

C[C@H](NOCCc1ccccc1)C(=O)OP(N)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ANPEP P15144 3/20 0.38
ERAP1 Q9NZ08 2/20 0.38
ERAP2 Q6P179 2/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 2/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 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
SCHEMBL7207832 0.90 MEN1 (0.41) MEN1KMT2AMMP2HPGDSMN1; SMN2
SCHEMBL7105161 0.87 MEN1 (0.40) MEN1KMT2AMMP2HPGDSMN1; SMN2
SCHEMBL4265208 0.87 NPC1 (0.47) MMP2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7214212 0.87 NPC1 (0.47) MMP2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7212742 0.84 HPRT1 (0.39) KMT2AANPEPERAP1ERAP2
SCHEMBL7026839 0.81 ELANE (0.41) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL7701970 0.76 NPC1 (0.45) MMP2NPC1RAB9AALDH1A1TSHR
SCHEMBL5142558 0.76 NPC1 (0.45) MMP2NPC1RAB9AALDH1A1TSHR
SCHEMBL7208522 0.74 NPC1 (0.44) NPC1RAB9A
SCHEMBL7209093 0.74 CA1 (0.60) MEN1KMT2ALMNAMMP2NPC1

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