SCHEMBL18878606

SCHEMBL18878606

CCCOc1ccc2ccccc2c1-c1c(OCCO)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
ALOX5 P09917 1/20 0.51
MAPT P10636 1/20 0.50
IDO1 P14902 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTR1B P28222 3/20 0.43
HTR1D P28221 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 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
SCHEMBL29361022 0.92 IDO1 (0.56) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL10398131 0.92 IDO1 (0.56) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL2048172 0.92 MAPT (0.58) CNR1CNR2ALOX5MAPTGAA
SCHEMBL25895033 0.91 ALOX5 (0.62) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL31443101 0.90 IDO1 (0.54) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL31443084 0.87 IDO1 (0.51) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL26632881 0.87 IDO1 (0.51) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL31443089 0.87 IDO1 (0.60) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL22416800 0.86 MAPT (0.53) CNR1CNR2ALOX5MAPTIDO1
SCHEMBL31443091 0.86 ALDH1A1 (0.52) CNR1CNR2ALOX5MAPTIDO1

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-20170145154-A1 MODIFIED COPOLYESTER COMPOSITION FAR EASTERN NEW CENTURY CORPORATION (TW) 2017-05-25 US disclosed