SCHEMBL3130813

SCHEMBL3130813

CC(Nc1ccc(C(C)C)cc1)Nc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KIF11 P52732 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL13101491 0.84 TDP1 (0.56) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL17198307 0.80 NFKB1 (0.42) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL24246260 0.80 NFKB1 (0.42) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL7860401 0.80 KIF11 (0.46) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL11841712 0.79 KIF11 (0.48) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL11659836 0.78 ALDH1A1 (0.65) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL29950147 0.78 NFKB1 (0.59) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL3958499 0.78 NFKB1 (0.59) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL28833363 0.78 ALDH1A1 (0.48) NFKB1ALDH1A1LMNAKDM4EGAA
SCHEMBL17609141 0.77 NFKB1 (0.40) NFKB1ALDH1A1LMNAKDM4EGAA

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-2010042250-A2 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-04-15 WO disclosed