SCHEMBL8941414

SCHEMBL8941414

CC(C1CC(c2ccc3ccccc3c2)=NO1)N(O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
ALOX5 P09917 7/20 0.39
ACHE P22303 1/20 0.38
EPHX1 P07099 1/20 0.37
MIF P14174 2/20 0.37
PTGER3 P43115 2/20 0.36
CYP1A2 P05177 2/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
ALOX5AP P20292 1/20 0.36
LOX P28300 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36
LTB4R Q15722 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8941571 0.86 ALOX5 (0.47) ALOX5CYP1A2LMNAALDH1A1SMN1; SMN2
SCHEMBL8941420 0.84 MIF (0.38) ALOX5MIFCYP1A2LMNA
SCHEMBL8941576 0.83 ALOX5 (0.48) ALOX5MIFCYP1A2LMNASMN1; SMN2
SCHEMBL8941751 0.83 ALOX5 (0.53) ALOX5CYP1A2LMNAGAAALDH1A1
SCHEMBL8941438 0.81 POLB (0.50) CYP1A2LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL29846544 0.76 F10 (0.57) F10MIFCYP1A2LMNAGAA
SCHEMBL24518326 0.71 POLB (0.61) F10ACHEMIFCYP1A2LMNA
SCHEMBL25401731 0.67 MIF (0.51) F10MIFCYP1A2LMNASMN1; SMN2
SCHEMBL24517979 0.67 F10 (0.43) F10ACHEMIFCYP1A2ALDH1A1
SCHEMBL11370603 0.67 SLC6A2 (0.43)

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-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed