SCHEMBL3395293

SCHEMBL3395293

CCC1=C(C(=O)OCC2CCCCC2)C(c2cc(Cl)c(OC(C)=O)c(Cl)c2)NC(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PDE1C Q14123 2/20 0.48
ADORA2B P29275 5/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3395154 0.88 GAA (0.68) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3399575 0.88 MEN1 (0.58) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3399582 0.88 MEN1 (0.58) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL13425377 0.88 GAA (0.68) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3398322 0.87 GAA (0.59) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL13426116 0.86 PDE1C (0.58) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL13425661 0.86 GAA (0.65) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3394396 0.85 MEN1 (0.58) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3396532 0.84 GAA (0.62) GAAKMT2AMEN1PDE1CADORA2B
SCHEMBL3395365 0.83 KMT2A (0.59) GAAKMT2AMEN1PDE1CADORA2B

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