SCHEMBL8773188

SCHEMBL8773188

COc1cc(OCc2ccccc2)nc(Oc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CHRM5 P08912 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
ABCB1 P08183 2/20 0.40
CETP P11597 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.39
PPARG P37231 1/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 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
SCHEMBL8773239 0.87 LOX (0.47) LOXLOXL2CHRM5CETPALDH1A1
SCHEMBL8773242 0.86 MAOB (0.48) MAOBLOXLOXL2MRGPRX4ALDH1A1
SCHEMBL28422875 0.77 MAOB (0.62) MAOBMRGPRX4
SCHEMBL7108244 0.77 MAPT (0.48) LOXL2CHRM5ALDH1A1PPARG
SCHEMBL8124547 0.77 MAOB (0.40) MAOBLOXLOXL2ABCB1HTR1A
SCHEMBL7108315 0.76 CTSS (0.41) CHRM5ALDH1A1PPARG
SCHEMBL8074651 0.75 MAPT (0.57) LOXLOXL2
SCHEMBL8509396 0.74 F10 (0.47) LOXLOXL2CHRM5CETP
SCHEMBL8074659 0.74 MAPT (0.47) LOXLOXL2
SCHEMBL8546656 0.73 L3MBTL1 (0.45) MRGPRX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691277-A REACTING A 2,6-DIHALOGENOPYRIDINE WITH A META SUBSTITUTED PHENOL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-11-25 US disclosed
EP-0692474-B1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA CHEMICAL IND CO LTD (JP) 1997-10-29 EP disclosed
EP-0692474-A1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed