SCHEMBL29164209

SCHEMBL29164209

NNC(=O)CCCNCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.44
▸ FAAH O00519 3/20 0.44
▸ HDAC3 O15379 8/20 0.42
▸ HDAC1 Q13547 8/20 0.42
▸ HDAC2 Q92769 8/20 0.42
▸ HDAC8 Q9BY41 8/20 0.42
▸ NCOR2 Q9Y618 2/20 0.42
▸ HDAC4 P56524 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ DDAH1 O94760 1/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL44044 0.83 MGLL (0.54) MGLLFAAHHDAC3HDAC1HDAC2
SCHEMBL28390770 0.82 MGLL (0.56) MGLLFAAHHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL44524 0.82 MGLL (0.52) MGLLFAAHHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL443354 0.82 MGLL (0.52) MGLLFAAHHDAC3HDAC1HDAC2
SCHEMBL6749977 0.77 AOC2 (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL15811640 0.71 MGLL (0.49) MGLLFAAHPKMALDH1A1
SCHEMBL13996136 0.70 MGLL (0.57) MGLLFAAHHDAC3HDAC1HDAC2
SCHEMBL16508391 0.69 MGLL (0.50) MGLLFAAHPKMALDH1A1
SCHEMBL3339259 0.69 DDAH1 (0.61) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL741572 0.68 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1

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-116068167-A Separation and detection method of extracellular biomacromolecule 厦门福流生物科技有限公司 2023-05-05 — — CN claimed
CN-116068167-A Separation and detection method of extracellular biomacromolecule 厦门福流生物科技有限公司 2023-05-05 — — CN disclosed
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