SCHEMBL15028291

SCHEMBL15028291

Cc1ccc(C(=O)OCc2ccccc2)c(OC2CCNCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 4/20 0.52
▸ HRH1 P35367 4/20 0.47
▸ PLAT P00750 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL15028358 0.87 NMT1 (0.56) NMT1HRH1
SCHEMBL15028224 0.86 NMT1 (0.57) NMT1HRH1PLAT
SCHEMBL15028296 0.86 NMT1 (0.55) NMT1HRH1
SCHEMBL15028221 0.83 NMT1 (0.54) NMT1HRH1
SCHEMBL15014299 0.80 PDE4B (0.46) —
SCHEMBL3156343 0.78 PRMT5 (0.47) NMT1HRH1
SCHEMBL25910681 0.78 DHODH (0.54) —
SCHEMBL15012535 0.78 NMT1 (0.68) NMT1HRH1
SCHEMBL15028361 0.77 HTR6 (0.55) NMT1HRH1
SCHEMBL15028295 0.77 NMT1 (0.57) NMT1HRH1

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-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 — — WO disclosed
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