SCHEMBL3398149

SCHEMBL3398149

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

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.71
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
USP2 O75604 1/20 0.59
DHFR P00374 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.55
PKM P14618 1/20 0.54
GUSB P08236 2/20 0.52
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5173918 0.89 DHFR (0.74) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL19732955 0.85 USP2 (0.79) HSD17B10ALDH1A1USP2TDP1
SCHEMBL19732923 0.85 USP2 (0.79) HSD17B10ALDH1A1USP2TDP1
SCHEMBL13789190 0.85 USP2 (0.79) HSD17B10ALDH1A1USP2TDP1
SCHEMBL20522105 0.85 DHFR (0.81) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL8328481 0.85 USP2 (0.58) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL6348122 0.85 HTT (0.75) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL14413255 0.85 PKM (0.68) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL19732936 0.85 PKM (0.68) KIF11HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL5341216 0.83 KIF11 (1.00) KIF11HSD17B10ALDH1A1ALOX15MAPK1

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