SCHEMBL8079401

SCHEMBL8079401

Fc1[c]cccc1-c1ccccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.49
BRD4 O60885 4/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
HTR1A P08908 2/20 0.42
DRD2 P14416 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
LIPE Q05469 1/20 0.41
MCL1 Q07820 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL3211927 0.87 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8732802 0.83 MAPT (0.46) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL8074754 0.82 MCL1 (0.51) MAPTTDP1L3MBTL1IDO1HTR1A
SCHEMBL26013299 0.81 MAPT (0.63) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL10798688 0.78 PTGER1 (0.42) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL3731514 0.78 BRD4 (0.48) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL920470 0.77 ALDH1A1 (0.50) MAPTIDO1HTR1ASLC6A2SLC6A4
SCHEMBL28239249 0.76 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL1190605 0.75 MAPT (0.52) BRD4MAPTMAPK1TDP1L3MBTL1
SCHEMBL11739704 0.75 APP (0.44) MAPK1TDP1L3MBTL1NPC1GAA

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed