SCHEMBL8879173

SCHEMBL8879173

CC(C#Cc1ccc(Oc2ccc(F)cc2)o1)NO

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.61
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8876995 1.00 ALOX5 (0.61) ALOX5ACACBACACAALDH1A1NPC1
SCHEMBL8880045 1.00 ALOX5 (0.61) ALOX5ACACBACACAALDH1A1NPC1
SCHEMBL19460245 0.86 ALOX5 (0.60) ALOX5ACACBACACA
SCHEMBL1894729 0.86 ALOX5 (0.60) ALOX5ACACBACACA
SCHEMBL8933603 0.85 ALOX5 (0.65) ALOX5ACACBALDH1A1
SCHEMBL12420450 0.78 ALOX5 (0.83) ALOX5
SCHEMBL13140099 0.78 ALOX5 (0.83) ALOX5
SCHEMBL8590069 0.76 ALOX5 (1.00) ALOX5ACACBACACA
SCHEMBL6438420 0.76 ALOX5 (1.00) ALOX5ACACBACACA
SCHEMBL1807930 0.76 ALOX5 (1.00) ALOX5ACACBACACA

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
US-5663368-A Synthesis of acid addition salts of hydroxylamines SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
EP-0708753-A4 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORP (US) 1996-10-02 EP disclosed
EP-0708753-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed