SCHEMBL28056608

SCHEMBL28056608

CCOC(CC)(CC)C(=O)Br

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3258251 0.77 SOAT1 (0.36) ALDH1A1LMNAHSD17B10
SCHEMBL28324952 0.75 SOAT1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL24780286 0.75 SOAT1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL6319563 0.73 GAA (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL27793139 0.73 CYP4F2 (0.42) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL5874374 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13776376 0.73 DGAT1 (0.33) ALDH1A1
SCHEMBL19182820 0.72
SCHEMBL315985 0.70 CYP2D6 (0.39) ALDH1A1
SCHEMBL5346342 0.70 CYP2D6 (0.39) ALDH1A1

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
CN-104031366-B Cellulose coupling nano-metal-oxide strengthens poly-lactic acid material and preparation method thereof CHONGQING UNIVERSITY (CN) 2016-05-04 CN disclosed