SCHEMBL8060012

SCHEMBL8060012

CC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1.CCCC(C)(C)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
ALOX15 P16050 4/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ALOX12 P18054 4/20 0.51
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 3/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.43
KCNH3 Q9ULD8 4/20 0.41
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 3/20 0.36

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
SCHEMBL2186299 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL201628 0.83 ALDH1A1 (0.71) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL1846955 0.77 ALDH1A1 (0.66) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL1899338 0.77 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL1453847 0.77 GAA (0.43) ALDH1A1TSHRHSD17B10ALOX12TDP1
SCHEMBL29134220 0.76 NPC1 (0.56) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL30615698 0.75 SMN1; SMN2 (0.40) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL29134225 0.75 NPSR1 (0.51) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL9468080 0.74 ALDH1A1 (0.67) ALDH1A1ALOX15TSHRHSD17B10ALOX12
SCHEMBL21634339 0.74 MAPT (0.46) ALDH1A1ALOX15TSHRHSD17B10ALOX12

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
US-6160043-A Curable compositions having high amount of antiozonant and an article made therefrom LORD CORPORATION (US) 2000-12-12 US disclosed