SCHEMBL6708188

SCHEMBL6708188

O=C(CC[CH]Oc1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL7277411 0.88 ALDH1A1 (0.51) MRGPRX4ALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL6707308 0.84 TNF (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL9439620 0.82 ALDH1A1 (0.55) MRGPRX4ALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL6708065 0.81 CYP1A2 (0.51) MRGPRX4ALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL7277418 0.80 MRGPRX4 (0.54) MRGPRX4ALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL7279601 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1KDM4EHPGD
SCHEMBL7277556 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1KDM4EHPGD
SCHEMBL3051266 0.77 ALDH1A1 (0.65) MRGPRX4ALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL21443106 0.74 CDYL (0.59) ALDH1A1L3MBTL1MAPK1KDM4ECASP1
SCHEMBL6707441 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed