SCHEMBL28101581

SCHEMBL28101581

CC(=O)ON(CCO)CCO.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL990517 0.97 MAPT (0.35) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL29129917 0.95 MAPT (0.33) MAPTALDH1A1LMNAHSD17B10TSHR
Ammonia Solution, Strong SCHEMBL29053959 0.95 MAPT (0.33) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL27800543 0.95 MAPT (0.33) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL27732052 0.85 TDP1 (0.34) LMNAHSD17B10TSHR
SCHEMBL8995962 0.77 MAPT (0.35) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL5013465 0.77 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL22408759 0.76 MAPT (0.32) MAPT
SCHEMBL20702833 0.76 MAPT (0.32) MAPT
SCHEMBL28814756 0.75 ALDH1A1 (0.41) ALDH1A1TSHR

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-106007444-A Modified alcohol amine and preparation method thereof and application 山东中岩建材科技有限公司 2016-10-12 CN disclosed