SCHEMBL257754

SCHEMBL257754

CC(C)=Cc1c(C)cccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 1/20 0.56
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
HTR1A P08908 3/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
LIPE Q05469 1/20 0.47
BRD4 O60885 1/20 0.46
PTGER1 P34995 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
EDNRA P25101 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALPG P10696 1/20 0.42

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
SCHEMBL2579088 0.81 MAPT (0.59) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL25680974 0.79 MAPT (0.56) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL14279390 0.77 MAPT (0.53) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL265584 0.76 MAPK1 (0.70) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL29874217 0.76 MAPK1 (0.70) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL13748188 0.76 MAPK1 (0.40) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL8497192 0.76 MAPT (0.65) MAPTL3MBTL1TDP1MAPK1RXRA
Acetic Acid SCHEMBL28238681 0.76 RXRA (0.73) MAPTL3MBTL1TDP1MAPK1RXRA
SCHEMBL12708729 0.75 ABCG2 (0.42) MAPTMAPK1LMNAKDM4EALDH1A1
SCHEMBL2880443 0.75 MAPT (0.81) MAPTL3MBTL1TDP1MAPK1RXRA

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
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed