SCHEMBL21297626

SCHEMBL21297626

O=C1CCCc2cc(O)ccc21.O=C1CCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 20/20 0.88
MAOA P21397 19/20 0.88
PRKCI P41743 1/20 0.62
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
GRM5 P41594 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL226640 0.94 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3451690 0.91 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL327001 0.85 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL20572760 0.83 MAOB (1.00) MAOBMAOA
SCHEMBL30067289 0.83 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL3501723 0.83 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4095412 0.81 MAOA (0.77) MAOBMAOA
SCHEMBL21300548 0.81 MAOB (0.64) MAOBMAOAPRKCINPC1ALDH1A1
SCHEMBL22517158 0.81 MAOB (1.00) MAOBMAOA
SCHEMBL3857144 0.81 MAOA (0.81) MAOBMAOA

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
WO-2019163917-A1 COMPOUND HAVING S1P5 RECEPTOR AGONIST ACTIVITY 小野薬品工業株式会社 2019-08-29 WO disclosed