SCHEMBL8089424

SCHEMBL8089424

CCCCCOc1c(OC)ccc2c1CCN(CCc1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.81
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.40

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
SCHEMBL4409616 0.90 CNR2 (1.00) CNR2ALDH1A1
SCHEMBL4411949 0.90 CNR2 (0.82) CNR2TP53MDM2
SCHEMBL4409562 0.89 CNR2 (0.84) CNR2ALDH1A1TP53
SCHEMBL4418089 0.88 CNR2 (0.82) CNR2ALDH1A1
SCHEMBL7029384 0.88 CNR2 (0.79) CNR2
SCHEMBL4417635 0.87 CNR2 (0.77) CNR2
SCHEMBL4414334 0.86 CNR2 (0.79) CNR2ALDH1A1
SCHEMBL4417012 0.86 CNR2 (0.79) CNR2
SCHEMBL6363703 0.85 CNR2 (0.77) CNR2ALDH1A1TP53
SCHEMBL4405983 0.80 CNR2 (1.00) CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed