SCHEMBL8526705

SCHEMBL8526705

CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccccc3)c(O)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.54
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4411502 0.76 CNR2 (0.63) CNR2CNR1MAPTKDM4EPOLB
SCHEMBL4415634 0.76 CNR2 (0.81) CNR2CNR1ALDH1A1KDM4E
SCHEMBL4408455 0.72 CNR2 (0.63) CNR2CNR1MAPTKDM4EPOLB
SCHEMBL4409113 0.72 CNR2 (0.55) CNR2CNR1KDM4EPOLB
Hydrochloric Acid SCHEMBL8085888 0.71 CNR2 (0.54) CNR2CNR1KDM4EPOLB
SCHEMBL4406833 0.70 CNR2 (0.49) CNR2CNR1MAPTKDM4EPOLB
SCHEMBL4414324 0.70 CNR2 (0.49) CNR2CNR1MAPTKDM4ESMN1; SMN2
SCHEMBL4408457 0.70 CNR2 (1.00) CNR2LMNA
SCHEMBL4408203 0.70 CNR2 (0.76) CNR2ALDH1A1TP53
SCHEMBL8089408 0.69 CNR2 (0.65) CNR2CNR1

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-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP claimed