SCHEMBL28048218

SCHEMBL28048218

C=CCC(=O)CC=C.CC1NCCOC1(S)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A4 P31645 1/20 0.31
GAA P10253 3/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
Thioxanthene SCHEMBL28825394 0.89
SCHEMBL27856578 0.72 GAA (0.36) SLC6A2SLC6A3LMNAOPRM1SLC6A4
SCHEMBL5385861 0.70 SLC6A2 (0.40) SLC6A2SLC6A3LMNACHRNB2CHRNB4
Fumaric Acid SCHEMBL2599548 0.69 SLC6A2 (0.47) SLC6A2SLC6A3LMNACHRNB2CHRNB4
Fumaric Acid SCHEMBL2599546 0.69 SLC6A2 (0.47) SLC6A2SLC6A3LMNACHRNB2CHRNB4
SCHEMBL2599510 0.69 SLC6A2 (0.55) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL28218059 0.68 LMNA (0.31) LMNA
SCHEMBL28754586 0.68 SLC6A2 (0.30) SLC6A2SLC6A3LMNASLC6A4
SCHEMBL2599547 0.67 L3MBTL1 (0.36) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL18722933 0.66 SLC6A2 (0.39) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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-103468108-B Coating composition COLOPLAST A/S (DK) 2016-03-02 CN disclosed