SCHEMBL8955653

SCHEMBL8955653

O=[N+]([O-])c1cccc(OCCCCCCCCO)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LTA4H P09960 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 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
SCHEMBL31087900 1.00 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL31087905 1.00 CHRNB2 (0.61) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL31087898 0.98 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL5518334 0.98 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL29832812 0.94 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL5523744 0.94 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL14028449 0.92 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL77341 0.89 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL3977089 0.88 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNAMEN1
SCHEMBL15498199 0.85 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNAMEN1

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
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed