SCHEMBL12654907

SCHEMBL12654907

CCCCOC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12621313 0.90 CA1 (0.50) CA1CA2BCHEACHEMAPT
SCHEMBL23818598 0.89 MGLL (0.47) MGLLCA1CA2BCHEACHE
SCHEMBL12654919 0.87 MAPT (0.43) MGLLCA1CA2BCHEACHE
SCHEMBL14627742 0.86 CA1 (0.49) CA1CA2BCHEACHEMAPT
SCHEMBL12621311 0.86 CA1 (0.49) CA1CA2BCHEACHEMAPT
SCHEMBL15003930 0.86 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL20059145 0.86 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL17403979 0.86 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL12467473 0.85 BTN3A1 (0.45) HDAC3ALDH1A1L3MBTL1TDP1TSHR
SCHEMBL21158536 0.85 BTN3A1 (0.45) HDAC3ALDH1A1L3MBTL1TDP1TSHR

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
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 — — US disclosed
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