SCHEMBL3394970

SCHEMBL3394970

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OC)c(O)c2)NC(=O)N1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.69
KMT2A Q03164 4/20 0.68
PDE1C Q14123 4/20 0.68
MEN1 O00255 3/20 0.68
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 5/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.47
HTT P42858 1/20 0.47
MAPK10 P53779 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL13426289 0.93 GAA (0.81) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3393426 0.90 GAA (0.66) GAAKMT2APDE1CMEN1MAPK1
SCHEMBL13425621 0.89 GAA (0.60) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3397471 0.89 GAA (0.58) GAAKMT2APDE1CMEN1MAPK1
SCHEMBL3395671 0.88 GAA (0.60) GAAKMT2APDE1CMEN1MAPK1
SCHEMBL3397339 0.88 GAA (0.60) GAAKMT2APDE1CMEN1SMN1; SMN2
SCHEMBL3394305 0.88 GAA (0.60) GAAKMT2APDE1CMEN1MAPK1
SCHEMBL3395597 0.87 GAA (0.58) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3395486 0.86 GAA (0.57) GAAKMT2APDE1CMEN1MAPK1
SCHEMBL13426254 0.86 GAA (0.62) GAAKMT2APDE1CMEN1MAPK1

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