SCHEMBL9434278

SCHEMBL9434278

[c]1cccc(OCC=Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
IDO1 P14902 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
AOC3 Q16853 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 2/20 0.40
ALOX5 P09917 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL9434277 1.00 MAOA (0.51) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL1158152 0.82 IDO1 (0.61) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL11426742 0.82 IDO1 (0.61) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL1158153 0.82 IDO1 (0.61) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL7251505 0.81 MAOA (0.55) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL7251502 0.81 MAOA (0.55) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL6752771 0.81 MAOA (0.51) MAOAMAOBIDO1NPC1RAB9A
SCHEMBL920386 0.78 AOC3 (0.38) AOC3
SCHEMBL920385 0.78 AOC3 (0.38) AOC3
SCHEMBL919477 0.78 AOC3 (0.38) AOC3

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed