SCHEMBL16258631

SCHEMBL16258631

CCOC(=O)[C@H](C)N[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BTN3A1 O00481 4/20 0.41
▸ CCR3 P51677 3/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NR5A1 Q13285 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL30583779 1.00 MEN1 (0.42) MEN1KMT2ABTN3A1CCR3CA1
SCHEMBL16258629 1.00 MEN1 (0.42) MEN1KMT2ABTN3A1CCR3CA1
SCHEMBL30511498 0.91 ALOX5 (0.41) MEN1KMT2ABTN3A1CA1CA2
SCHEMBL17550480 0.90 BTN3A1 (0.44) MEN1KMT2ABTN3A1MAPTALDH1A1
SCHEMBL18476530 0.90 ITGA4 (0.38) MEN1KMT2ABTN3A1MAPTALDH1A1
SCHEMBL14934182 0.90 ITGA4 (0.38) MEN1KMT2ABTN3A1MAPTALDH1A1
SCHEMBL14934170 0.90 ITGA4 (0.38) MEN1KMT2ABTN3A1MAPTALDH1A1
SCHEMBL17550484 0.90 BTN3A1 (0.40) MEN1KMT2ABTN3A1CA1CA2
SCHEMBL17550481 0.89 MEN1 (0.38) MEN1KMT2ACCR3CA1CA2
SCHEMBL16015977 0.89 BTN3A1 (0.49) MEN1KMT2ABTN3A1ALDH1A1KDM4E

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-2805960-A1 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2014-11-26 — — EP disclosed
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