SCHEMBL3759950

SCHEMBL3759950

O=C(O)CCC1NCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.35
APEX1 P27695 1/20 0.35
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
FOLH1 Q04609 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 0.31
SLC6A1 P30531 1/20 0.31

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
SCHEMBL9630383 0.88 LMNA (0.46) LMNASLC22A6APEX1TSHRNFKB1
SCHEMBL18205582 0.80
SCHEMBL7261102 0.74
SCHEMBL8701311 0.73
SCHEMBL28246779 0.72
Hydrochloric Acid SCHEMBL11625326 0.72 SLC6A12 (0.41) LMNATSHRITGB3ITGA2BSLC6A1
SCHEMBL2919235 0.72 SLC6A1 (0.38) LMNAALKBH5SUCNR1EGLN1TSHR
Acetic Acid SCHEMBL11123447 0.70 ALOX5 (0.49) SLC22A6TSHRALOX5
SCHEMBL5077782 0.70 NPSR1 (0.43) LMNAALKBH5SUCNR1EGLN1SLC22A6
SCHEMBL6221344 0.69

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
US-20100311700-A1 Transdermal preparation for external use containing nonsterioidal antiinflammatory/analgesic agent HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2010-12-09 US disclosed