SCHEMBL7745814

SCHEMBL7745814

CCCC(C)N(c1ccc(N)cc1)C(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
PSMD14 O00487 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.48
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A3 Q01959 1/20 0.35
CYP19A1 P11511 2/20 0.35
MEN1 O00255 1/20 0.33

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
SCHEMBL28544063 0.88 CYP3A4 (0.45) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL2431138 0.86 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL107809 0.85 TDP1 (0.50) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL2991745 0.85 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL12304294 0.85 KDM4E (0.30) TDP1ALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL8629718 0.80 TDP1 (0.45) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL4621269 0.80 ALDH1A1 (0.52) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL11614151 0.80 TDP1 (0.41) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL6439448 0.79 TDP1 (0.48) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL5224483 0.78 AOC3 (0.40) ALDH1A1TSHRTP53MAPTKDM4E

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
JP-2001001449-A RUBBER LAMINATE TOKAI RUBBER IND LTD 2001-01-09 JP disclosed