SCHEMBL8959906

SCHEMBL8959906

CCCCCCCCCOC(=O)c1cn(CCCC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.57
CNR1 P21554 9/20 0.55
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CREBBP Q92793 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL8959772 0.88 CNR1 (0.60) CNR2CNR1ALDH1A1TSHRCYP3A4
SCHEMBL8960027 0.87 CNR1 (0.66) CNR2CNR1ALDH1A1TSHRCYP3A4
SCHEMBL8959912 0.82 CNR1 (0.62) CNR2CNR1ALDH1A1TSHRL3MBTL1
SCHEMBL9289681 0.81 CNR1 (0.54) CNR2CNR1L3MBTL1CREBBPLMNA
SCHEMBL8959736 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA
SCHEMBL8959991 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA
SCHEMBL8959828 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA
SCHEMBL8959933 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA
SCHEMBL8959776 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA
SCHEMBL8959790 0.79 CNR1 (0.66) CNR2CNR1CREBBPLMNA

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-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed