SCHEMBL5591557

SCHEMBL5591557

CC(C)(C)OC(=O)NCCOc1c(Cl)cc(C(=O)Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.43
▸ NAMPT P43490 2/20 0.41
▸ MAPT P10636 10/20 0.40
▸ TDP1 Q9NUW8 8/20 0.40
▸ NPSR1 Q6W5P4 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL5598072 0.86 PLAU (0.48) PLAUNAMPTMAPTTDP1NPSR1
SCHEMBL5591785 0.81 PLAU (0.47) PLAUMAPTTDP1NPSR1KDM4E
SCHEMBL8235456 0.80 PLAU (0.47) PLAUNAMPTMAPTTDP1NPSR1
SCHEMBL5591560 0.78 PLAU (0.44) PLAUNAMPTMAPTTDP1NPSR1
SCHEMBL2487696 0.76 CA12 (0.48) MAPTKDM4EGLAGAASLC5A1
SCHEMBL5591556 0.76 PLAU (0.42) PLAUMAPTTDP1NPSR1KDM4E
SCHEMBL31307120 0.76 IDO1 (0.44) NAMPTMAPTTDP1
SCHEMBL12639204 0.76 CYP17A1 (0.55) NAMPTKMT2AMEN1
SCHEMBL8235752 0.75 MAPT (0.41) PLAUNAMPTMAPTTDP1NPSR1
SCHEMBL8229818 0.75 HDAC1 (0.47) PLAUNAMPTMAPTKDM4EKMT2A

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
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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