SCHEMBL3394067

SCHEMBL3394067

CC(C)C1=C(C(=O)OCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.59
KIF11 P52732 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ADORA2B P29275 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL3397010 0.88 KIF11 (0.76) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13426215 0.85 KIF11 (0.62) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13425966 0.85 KIF11 (0.62) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3398042 0.85 KIF11 (0.62) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3394451 0.84 KIF11 (0.64) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3398285 0.84 PDE1C (0.59) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3399002 0.83 KIF11 (0.60) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3432561 0.83 PDE1C (0.58) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3395681 0.83 PDE1C (0.60) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13425330 0.83 PDE1C (0.58) PDE1CKIF11SMN1; SMN2NPSR1ALDH1A1

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