SCHEMBL11528329

SCHEMBL11528329

CCCCCCCCCCCC(=O)ONC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SIRT2 Q8IXJ6 5/20 0.51
SIRT1 Q96EB6 4/20 0.50
SIRT3 Q9NTG7 3/20 0.49
EPHX2 P34913 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CETP P11597 3/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL25399615 1.00 MEN1 (0.51) MEN1KMT2ASIRT2SIRT1SIRT3
SCHEMBL5267117 0.99 CA12 (0.50) MEN1KMT2ASIRT2SIRT1SIRT3
SCHEMBL25400902 0.94 CA12 (0.51) SIRT2CA12CA1CA2CA9
SCHEMBL27501720 0.93 CA12 (0.55) EPHX2CA12CA1CA2CA9
SCHEMBL11528324 0.93 FAAH (0.55) MEN1KMT2ASIRT2SIRT1EPHX2
SCHEMBL8061583 0.89 CA12 (0.54) CA12CA1CA2CA9HTT
SCHEMBL7415486 0.89 CA12 (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL27346972 0.85 CA12 (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL27440468 0.85 CA12 (0.50) CA12CA1CA2CA9HTT
SCHEMBL9802928 0.84 ALDH1A1 (0.57) MEN1KMT2AEPHX2CETPALDH1A1

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-4160077-A Process of crosslinking unsaturated hydrocarbon polymers employing novel carbamates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 US disclosed