SCHEMBL12654909

SCHEMBL12654909

CCCCOC(=O)[C@H](CC(C)C)NP(=O)(Cl)Oc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR1 P21554 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ ADAM17 P78536 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36

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
SCHEMBL12654939 0.91 ANPEP (0.41) TAS1R3TAS1R1SMN1; SMN2NPC1RAB9A
SCHEMBL12654919 0.86 MAPT (0.43) TAS1R3TAS1R1SMN1; SMN2NPC1RAB9A
SCHEMBL1274001 0.86 POLB (0.41) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL2065133 0.83 PPARG (0.39) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL12621370 0.82 CTSK (0.48) MEN1KMT2A
SCHEMBL31435784 0.79 BTN3A1 (0.45) SMN1; SMN2ADAM17MMP1MMP3MMP9
SCHEMBL1274173 0.78 FAAH (0.39) CNR1
SCHEMBL12467482 0.77 HPRT1 (0.46) NPC1RAB9AL3MBTL1POLBMEN1
SCHEMBL12467473 0.76 BTN3A1 (0.45) L3MBTL1HDAC3
SCHEMBL21158536 0.76 BTN3A1 (0.45) L3MBTL1HDAC3

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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