SCHEMBL18112355

SCHEMBL18112355

CC(C)CC(C)(C)C(=O)C(C)(C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.34
CA2 P00918 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6138611 0.80 ALDH1A1 (0.39) MMP8ALDH1A1TDP1CYP2C19CA2
SCHEMBL301722 0.80 ACACB (0.40) MMP8ALDH1A1TDP1CYP2C19GRM2
SCHEMBL3718753 0.78 MMP8 (0.34) MMP8ALDH1A1TDP1CYP2C19GRM2
SCHEMBL10601733 0.78 CYP2C19 (0.37) MMP8ALDH1A1TDP1CYP2C19GRM2
Hydrogen Peroxide SCHEMBL5147765 0.78 ALDH1A1 (0.38) MMP8ALDH1A1TDP1CYP2C19GRM2
SCHEMBL13954104 0.78 CYP1A2 (0.37) MMP8ALDH1A1TDP1CYP2C19
SCHEMBL7436621 0.78 MMP8 (0.34) MMP8ALDH1A1TDP1CYP2C19
SCHEMBL15022216 0.76 CA2 (0.39) MMP8ALDH1A1TDP1CYP2C19CA2
Silver SCHEMBL17797183 0.76 CA2 (0.39) MMP8ALDH1A1TDP1CYP2C19CA2
SCHEMBL14417066 0.74 MMP8 (0.40) MMP8CYP2C19CYP2D6

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-20160290036-A1 HEAT-SHIELDING MATERIAL AND WINDOW GLASS FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed