SCHEMBL9054750

SCHEMBL9054750

CC(C#Cc1cc2ccccc2o1)N(O)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.60
EPHX2 P34913 3/20 0.46
CYP2A6 P11509 1/20 0.45
HRH1 P35367 1/20 0.43
FLT3 P36888 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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
SCHEMBL9049480 0.77 ALOX5 (0.67) ALOX5EPHX2ACACBACACA
SCHEMBL9049153 0.76 ALOX5 (0.60) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL6341962 0.76 ALOX5 (0.68) ALOX5EPHX2FLT3
SCHEMBL9047578 0.76 ALOX5 (0.72) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9351477 0.76 ALOX5 (0.65) ALOX5EPHX2ACACBACACA
SCHEMBL9047676 0.75 ALOX5 (0.60) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9047411 0.75 ALOX5 (1.00) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9049123 0.75 ALOX5 (0.64) ALOX5EPHX2ACACBACACA
SCHEMBL9048674 0.74 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL26080884 0.74 CYP2A6 (0.55) ALOX5CYP2A6FLT3

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
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP claimed