SCHEMBL28943129

SCHEMBL28943129

CCCCCCOCCOC(N)CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
DNM1 Q05193 1/20 0.42
USP2 O75604 1/20 0.40
CES2 O00748 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
TSHR P16473 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35

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
SCHEMBL116906 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL10822148 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL379293 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL116910 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL8752601 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL116257 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL446396 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL3029039 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL496059 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1
SCHEMBL7920150 0.87 DNM1 (0.54) HTTTHRBDNM1TSHRCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115318444-B Amine or amine salt collecting agent with adjustable quantity of alkoxy chains for iron ore flotation, preparation method and compound application thereof 淄博坤鑫选矿药剂有限公司 2023-07-21 CN claimed
CN-115318444-A Amine or amine salt collecting agent with adjustable alkoxy chain number for iron ore flotation, preparation method and compound application thereof 淄博坤鑫选矿药剂有限公司 2022-11-11 CN disclosed