SCHEMBL28012013

SCHEMBL28012013

C=C(C)COc1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
LIPE Q05469 1/20 0.54
BRD4 O60885 1/20 0.51
HTR1A P08908 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
RXRA P19793 1/20 0.47
ALPG P10696 1/20 0.47
PTK2B Q14289 1/20 0.47
DRD2 P14416 1/20 0.47
ATM Q13315 1/20 0.46
APP P05067 1/20 0.45
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
LTB4R Q15722 1/20 0.44

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
SCHEMBL9750660 0.87 SMN1; SMN2 (0.48) MAPTL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL29457182 0.87 SMN1; SMN2 (0.48) MAPTL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL1229367 0.82 PTGS1 (0.61) MAPTL3MBTL1LTA4HCYP2C19SMN1; SMN2
SCHEMBL339812 0.80 MAPT (0.71) MAPTTDP1L3MBTL1MAPK1LIPE
SCHEMBL5784873 0.79 L3MBTL1 (0.61) MAPTTDP1L3MBTL1HTTCYP2C19
SCHEMBL5785927 0.79 SMN1; SMN2 (0.61) MAPTTDP1L3MBTL1MAPK1HTT
SCHEMBL8380993 0.79 HTT (0.59) MAPTTDP1L3MBTL1MAPK1HTT
Formaldehyde SCHEMBL27831678 0.78 MAPT (0.63) MAPTTDP1L3MBTL1MAPK1LIPE
SCHEMBL27276089 0.78 BRD4 (0.55) MAPTTDP1L3MBTL1MAPK1LIPE
SCHEMBL9901000 0.78 SMN1; SMN2 (0.42) MAPTL3MBTL1MAPK1HTTSMN1; SMN2

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
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed