SCHEMBL28205487

SCHEMBL28205487

CCC(Cc1ccc(C)cc1)C(c1ccc(N2CCOCC2)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP17A1 P05093 1/20 0.41
AKR1C3 P42330 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACACB O00763 1/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL28154803 0.89 MAPT (0.41) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL21961930 0.89 RORC (0.46) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL28133392 0.83 GAA (0.49) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL15710117 0.78 GAA (0.57) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL23880808 0.76 LMNA (0.46) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL21477315 0.75 ACACB (0.44) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL21354353 0.75 GAA (0.51) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL23880807 0.74 NPC1 (0.50) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL17294124 0.73 GAA (0.44) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL28205486 0.73 GAA (0.51) GAANPC1RAB9AL3MBTL1MAPT

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
CN-107848947-A Fluorochemical, living polymerization initiator, fluoropolymer, the manufacture method of fluoropolymer and anti-corrosion agent composition DIC株式会社 2018-03-27 CN disclosed