SCHEMBL8490229

SCHEMBL8490229

CCCCCCCCCCOc1ccc2oc(=O)c(OC(=O)c3ccccc3)c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ACSL1 P33121 2/20 0.47
ACSL6 Q9UKU0 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
PLA2G4B P0C869 1/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL8490529 0.92 MAP1LC3B (0.53) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8492822 0.86 MAOA (0.49) MAOAMAOBACSL1ACSL6MTNR1A
SCHEMBL8496606 0.86 KDM4E (0.51) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8495779 0.86 KDM4E (0.53) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8490418 0.85 KDM4E (0.52) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8496644 0.85 KDM4E (0.52) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8495080 0.83 MAOA (0.52) MAOAMAOBMAP1LC3BMAP1LC3APLA2G4B
SCHEMBL8492647 0.83 NQO1 (0.55) MAOAMAOBNPC1LMNASMN1; SMN2
SCHEMBL8491159 0.83 NQO1 (0.52) MAOAMAOBACSL1ACSL6MTNR1A
SCHEMBL6277207 0.82 ACSL1 (0.57) MAOAMAOBACSL1ACSL6MTNR1A

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
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed