SCHEMBL3399033

SCHEMBL3399033

CC1=C(C(=O)OCC(C)(C)C)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PKM P14618 1/20 0.59
GUSB P08236 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL5341216 0.89 KIF11 (1.00) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL15196473 0.85 KIF11 (0.73) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL3397866 0.84 PKM (0.80) KIF11SMN1; SMN2ALDH1A1PKMGAA
SCHEMBL3397010 0.83 KIF11 (0.76) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL3395980 0.82 KIF11 (0.78) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL13425501 0.81 KIF11 (0.73) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL5173918 0.80 DHFR (0.74) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL3398149 0.80 KIF11 (0.71) KIF11SMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL31705192 0.78 KIF11 (0.80) KIF11SMN1; SMN2ALDH1A1MAPK1HSD17B10
SCHEMBL5340534 0.78 KIF11 (0.80) KIF11SMN1; SMN2ALDH1A1MAPK1HSD17B10

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