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SCHEMBL3396249

SCHEMBL3396249

CCC1=C(C(=O)OCCOc2ccccc2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.59
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL13426223 0.89 KIF11 (0.60) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL13426241 0.89 KIF11 (0.60) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL3391291 0.86 KIF11 (0.63) KIF11ALDH1A1
SCHEMBL13425539 0.83 ALDH1A1 (0.58) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL13425487 0.82 KIF11 (0.59) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL3397125 0.82 KIF11 (0.58) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL3399229 0.82 KIF11 (0.60) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL3394451 0.80 KIF11 (0.64) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL13425966 0.79 KIF11 (0.62) KIF11POLBSMN1; SMN2NPSR1MEN1
SCHEMBL13426215 0.79 KIF11 (0.62) KIF11POLBSMN1; SMN2NPSR1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed