SCHEMBL28205486

SCHEMBL28205486

Cc1ccc(CC(CCN(C)C)Cc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 8/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.40
ACACB O00763 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL21961929 0.90 RORC (0.46) GAANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28154802 0.88 AOC3 (0.40) GAANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL15710117 0.82 GAA (0.57) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL11033548 0.81 NPC1 (0.47) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL23880807 0.78 NPC1 (0.50) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL12480894 0.77 NPC1 (0.47) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL82183 0.74 MAPT (0.67) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL15228964 0.74 NPC1 (0.44) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL21354353 0.74 GAA (0.51) GAANPC1RAB9AL3MBTL1AKR1C3
SCHEMBL4349589 0.73 MAPT (0.64) GAANPC1RAB9AL3MBTL1AKR1C3

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