SCHEMBL8942395

SCHEMBL8942395

CC(Oc1cccc(C(=O)N(O)CCNC(N)=O)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
ALDH1A1 P00352 2/20 0.41
LTB4R Q15722 4/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
GPR139 Q6DWJ6 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
EPHX2 P34913 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8942318 0.89 ALOX5 (0.52) ALOX5LTB4RLTB4R2KCNH2FFAR1
SCHEMBL8942585 0.88 MEN1 (0.42) ALOX5ALDH1A1EPHX2
SCHEMBL8783047 0.85 ALOX5 (0.50) ALOX5ALDH1A1GPR139EPHX2
SCHEMBL8942753 0.83 PARP1 (0.52) ALDH1A1
SCHEMBL8942302 0.80 ALOX5 (0.41) ALOX5ALDH1A1LTB4RLTB4R2FFAR1
SCHEMBL8942429 0.78 PARP10 (0.45) ALDH1A1
SCHEMBL8942465 0.78 L3MBTL1 (0.49) ALDH1A1
SCHEMBL8942260 0.77 FURIN (0.39) ALDH1A1
SCHEMBL8942402 0.76 EPOR (0.46) ALOX5
SCHEMBL8942408 0.76 TNKS (0.39) ALDH1A1

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed