SCHEMBL8558640

SCHEMBL8558640

COc1cc(OCc2ccc(C)cc2)c(Oc2ncccn2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KCNH2 Q12809 1/20 0.37
AR P10275 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL8565675 0.77 LTA4H (0.44) MAPTL3MBTL1ARMRGPRX4HTR2C
SCHEMBL8563160 0.72 MRGPRX4 (0.40) ARMRGPRX4HTR2CRXRARXRB
SCHEMBL8565558 0.72 MRGPRX4 (0.40) ALDH1A1SMN1; SMN2ARMRGPRX4RAB9A
SCHEMBL8563287 0.72 LTA4H (0.40) MAPTLMNASMN1; SMN2L3MBTL1AR
SCHEMBL8557138 0.69 MRGPRX4 (0.44) ARMRGPRX4HTR2CRXRARXRB
SCHEMBL19513571 0.69 MAOB (0.53) MAOBSMN1; SMN2KCNH2NPC1RAB9A
SCHEMBL30354863 0.68 RXRA (0.48) MAOBMAPTALDH1A1LMNAAR
SCHEMBL14453588 0.67 MRGPRX4 (0.50) MAPTSMN1; SMN2L3MBTL1MRGPRX4HTR2C
SCHEMBL20756090 0.66 RXRA (0.54) MAPTL3MBTL1HTR1AARMRGPRX4
SCHEMBL753616 0.65 MAOB (0.54) MAOBHTR1AMRGPRX4RXRARXRB

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-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed