SCHEMBL8575442

SCHEMBL8575442

COc1ccc([C](c2ccccc2)c2ccccc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPC1 O15118 6/20 0.57
ALDH1A1 P00352 6/20 0.57
RAB9A P51151 6/20 0.57
HPGD P15428 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
RAD52 P43351 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.53
PGR P06401 1/20 0.53
CYP2D6 P10635 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
HRH1 P35367 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL30205105 0.83 NPC1 (0.81) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL3224251 0.83 NPC1 (0.81) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL9253579 0.81 NPC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL5819937 0.81 CYSLTR2 (0.46) MAPTLMNAKMT2AMEN1SLC6A3
SCHEMBL10739836 0.79 NPC1 (0.65) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL9009439 0.79 ALDH1A1 (0.47) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL9101 0.79 RAB9A (0.58) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL30307041 0.78 NPC1 (0.56) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL17080310 0.76 ALDH1A1 (0.66) MAPTNPC1ALDH1A1RAB9AHPGD
SCHEMBL9277361 0.76 ALDH1A1 (0.70) MAPTNPC1ALDH1A1RAB9AHPGD

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-1998005675-A2 RADIOLABELED O-METHYL PHOSPHOTRIESTER AND O-METHYL PHOSPHOROTHIOATE INTERNUCLEOSIDE LINKAGES AND OLIGONUCLEOTIDES CONTAINING THE SAME HYBRIDON, INC. (US) 1998-02-12 WO disclosed