SCHEMBL1114555

SCHEMBL1114555

Oc1c(Cl)cc(C2N=CON2Cc2ccc(Oc3cccc(Cl)c3)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
MGLL Q99685 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
KLKB1 P03952 1/20 0.34
CXCR2 P25025 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FAAH O00519 3/20 0.33
CYP19A1 P11511 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL1114405 0.90 EGLN1 (0.36) MGLLFFAR1MMP2MMP3MMP9
SCHEMBL1114553 0.69 MGLL (0.39) NAAAMGLLFFAR1LMNAMMP1
SCHEMBL12603799 0.66 ALDH1A1 (0.48) MMP14LPAR1LPAR5ALDH1A1FAAH
SCHEMBL10715309 0.65 MAPT (0.54) NAAAMMP13ALDH1A1
SCHEMBL9502764 0.64 LPAR1 (0.45) NAAAMMP14LPAR1LPAR5ALDH1A1
SCHEMBL507152 0.64 ST14 (0.62) LPAR1LPAR5ALDH1A1
SCHEMBL32670495 0.64 LPAR1 (0.45) NAAAMMP14LPAR1LPAR5ALDH1A1
SCHEMBL8966889 0.64 LTA4H (0.59) NAAAALDH1A1
SCHEMBL9428779 0.63 LPAR1 (0.44) NAAAFFAR1MMP14LPAR1LPAR5
SCHEMBL3041565 0.62 S1PR5 (0.76) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed