SCHEMBL28849376

SCHEMBL28849376

NC(=O)NC1(c2ccccc2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.56
HDAC4 P56524 2/20 0.49
AKR1C1 Q04828 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL9640292 0.98 SSTR4 (0.54) SSTR4HDAC4AKR1C1HDAC3HDAC1
SCHEMBL9641250 0.95 SSTR4 (0.50) SSTR4HDAC4AKR1C1HDAC3HDAC1
SCHEMBL12906842 0.91 HTT (0.49) SSTR4HDAC4AKR1C1HDAC3HDAC1
SCHEMBL6620132 0.85 SSTR4 (0.59) SSTR4HDAC4AKR1C1HDAC3HDAC1
SCHEMBL3560390 0.83 SSTR4 (0.56) SSTR4HDAC4AKR1C1HDAC3HDAC1
SCHEMBL23497190 0.83 HDAC1 (0.42) SSTR4HDAC4HDAC3HDAC1HDAC2
SCHEMBL4630876 0.83 OPRM1 (0.47) SSTR4AKR1C1HDAC1
SCHEMBL27880342 0.83 SSTR4 (0.40) SSTR4HDAC3HDAC1HDAC2HDAC6
Benzene SCHEMBL27461502 0.83 OPRM1 (0.47) SSTR4AKR1C1HDAC1
SCHEMBL19463393 0.83 HDAC1 (0.42) SSTR4HDAC4HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109243-A Preparation method of polyester material with topological structure 辽宁大学 2022-09-27 CN claimed
CN-115093555-A Ionic liquid functionalized polylactic acid material and preparation method and application thereof 辽宁大学 2022-09-23 CN claimed
CN-115109243-A Preparation method of polyester material with topological structure 辽宁大学 2022-09-27 CN disclosed
CN-115093555-A Ionic liquid functionalized polylactic acid material and preparation method and application thereof 辽宁大学 2022-09-23 CN disclosed