SCHEMBL3397385

SCHEMBL3397385

CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(O)cc2)NC(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
GAA P10253 4/20 0.72
MAPK1 P28482 2/20 0.72
PDE1C Q14123 2/20 0.72
HSD17B10 Q99714 2/20 0.71
ALDH1A1 P00352 1/20 0.71
ALOX15 P16050 1/20 0.71
MAPK10 P53779 1/20 0.71
ADORA2B P29275 7/20 0.66
TP53 P04637 1/20 0.59

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
SCHEMBL3391307 0.89 MEN1 (0.79) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3398354 0.88 MEN1 (0.64) MEN1KMT2AGAAMAPK1PDE1C
SCHEMBL3397010 0.87 KIF11 (0.76) MEN1KMT2AGAAMAPK1PDE1C
SCHEMBL10112951 0.85 HSD17B10 (0.76) GAAMAPK1HSD17B10ALDH1A1ALOX15
SCHEMBL3435823 0.82 MEN1 (0.65) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425331 0.81 MEN1 (0.67) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL13425510 0.81 PDE1C (0.74) MEN1KMT2AGAAMAPK1PDE1C
SCHEMBL3395577 0.81 PDE1C (0.82) MEN1KMT2AGAAMAPK1PDE1C
SCHEMBL10112947 0.80 HSD17B10 (0.69) KMT2AGAAMAPK1HSD17B10ALDH1A1
SCHEMBL3393104 0.79 PDE1C (0.79) MEN1KMT2AGAAMAPK1PDE1C

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