SCHEMBL8672485

SCHEMBL8672485

c1ccc(OCCOc2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 1.00
MAOA P21397 8/20 0.81
TSHR P16473 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL107322 0.91 MAOB (0.83) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL108114 0.85 MAOB (0.74) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL9770341 0.85 MAOB (0.73) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL11802724 0.84 MAOB (0.72) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL981630 0.83 MAOB (0.71) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL4731619 0.81 MAOB (1.00) MAOBMAOARAB9ANPC1SMN1; SMN2
SCHEMBL74037 0.81 MAOB (0.68) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL7236239 0.81 MAOB (0.71) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL7345416 0.81 MAOB (0.68) MAOBMAOATSHRMEN1CYP1A2
SCHEMBL4321060 0.81 MAOB (0.68) MAOBMAOATSHRMEN1CYP1A2

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-5827796-A Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1998-10-27 US disclosed