SCHEMBL3395597

SCHEMBL3395597

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(OCc3ccccc3)c(O)c2)NC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.58
KMT2A Q03164 3/20 0.54
PDE1C Q14123 2/20 0.54
MEN1 O00255 2/20 0.54
MAPK10 P53779 1/20 0.53
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13425621 0.87 GAA (0.60) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3394970 0.87 GAA (0.69) GAAKMT2APDE1CMEN1MAPK10
SCHEMBL3393426 0.85 GAA (0.66) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3397471 0.84 GAA (0.58) GAAKMT2APDE1CMEN1TSHR
SCHEMBL13425374 0.84 MEN1 (0.55) GAAKMT2APDE1CMEN1MAPK10
SCHEMBL3397339 0.82 GAA (0.60) GAAKMT2APDE1CMEN1ALDH1A1
SCHEMBL3394305 0.82 GAA (0.60) GAAKMT2APDE1CMEN1TSHR
SCHEMBL3395671 0.82 GAA (0.60) GAAKMT2APDE1CMEN1TSHR
SCHEMBL13426215 0.82 KIF11 (0.62) GAAKMT2APDE1CMEN1ALDH1A1
SCHEMBL3398042 0.82 KIF11 (0.62) GAAKMT2APDE1CMEN1ALDH1A1

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 1 patent. 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