SCHEMBL9049153

SCHEMBL9049153

CC(C#Cc1ccc(C#Cc2ccccc2)o1)N(O)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.60
EPHX2 P34913 6/20 0.51
HRH1 P35367 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44

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
SCHEMBL9048674 0.86 ALOX5 (0.71) ALOX5EPHX2ACACBACACA
SCHEMBL9047676 0.83 ALOX5 (0.60) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9046903 0.82 ALOX5 (0.74) ALOX5EPHX2
SCHEMBL9049030 0.80 ALOX5 (0.79) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8308436 0.79 ALOX5 (0.54) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8304458 0.79 ALOX5 (0.60) ALOX5EPHX2ACACBACACA
SCHEMBL9047843 0.78 ALOX5 (0.70) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL9049256 0.78 ALOX5 (0.80) ALOX5EPHX2HRH1ACACBACACA
SCHEMBL8965068 0.78 ALOX5 (0.61) ALOX5EPHX2ACACBACACA
SCHEMBL9049067 0.77 ALOX5 (0.77) ALOX5EPHX2HRH1ACACBACACA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740657-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-11-06 EP disclosed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
WO-1995017384-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1995-06-29 WO disclosed