SCHEMBL28529745

SCHEMBL28529745

NC(=O)CCOCCOCCOCCOCCCCNC(=O)CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP1A2 P05177 3/20 0.42
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ASAH1 Q13510 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL23921490 0.85 GAA (0.57) GAAALDH1A1MEN1KMT2ANPSR1
SCHEMBL18716984 0.79 GAA (0.49) GAAALDH1A1CYP1A2LMNAPKM
SCHEMBL19485799 0.77 GAA (0.63) GAAALDH1A1CYP1A2LMNAPKM
SCHEMBL17275853 0.74 GAA (0.39) GAAALDH1A1CYP1A2LMNAPKM
SCHEMBL21792191 0.74 ALDH1A1 (0.47) GAAALDH1A1
SCHEMBL14237920 0.74 GAA (0.75) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL29475643 0.74 GAA (0.75) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL14237856 0.74 GAA (0.75) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL17275932 0.74 GAA (0.45) GAAALDH1A1CYP1A2LMNAPKM
SCHEMBL26353713 0.73 GAA (0.69) GAAALDH1A1CYP1A2MEN1KMT2A

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-106536560-B Method for preparing conjugates from disulfide-containing proteins 诺华股份有限公司 2021-03-09 — — CN disclosed
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