SCHEMBL8555948

SCHEMBL8555948

O=C(O)C(=NO)C(c1ccc(OCc2cccc(-c3ccccc3)n2)cc1)c1ccc(OCc2cccc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
ALOX5 P09917 14/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL8555939 1.00 KCNH2 (0.43) KCNH2MRGPRX4ALOX5GPBAR1HDAC6
SCHEMBL8559850 0.89 MEN1 (0.42) KCNH2MRGPRX4ALOX5HDAC6
SCHEMBL8557153 0.83 MEN1 (0.37) ALOX5
SCHEMBL8556876 0.83 ALOX5 (0.56) ALOX5HDAC6
SCHEMBL8556884 0.83 ALOX5 (0.56) ALOX5HDAC6
SCHEMBL8554727 0.82 PARP10 (0.53) ALOX5
SCHEMBL8554711 0.82 PARP10 (0.53) ALOX5
SCHEMBL8559093 0.81 ACACB (0.41) ALOX5HDAC6
SCHEMBL8555246 0.81 GPBAR1 (0.61) ALOX5GPBAR1HDAC6
SCHEMBL8559073 0.81 ACACB (0.41) ALOX5HDAC6

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed