SCHEMBL7072760

SCHEMBL7072760

CCC1(O)c2cc(O)ccc2CC12C=c1ccc(O)cc1=C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.33
OPRD1 P41143 6/20 0.33
OPRK1 P41145 5/20 0.33
NR3C1 P04150 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
STS P08842 1/20 0.30

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
SCHEMBL7074686 0.87 ESR2 (0.38) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6793852 0.73 ESR2 (0.38) OPRM1OPRD1OPRK1NR3C1ESR1
SCHEMBL6793856 0.66 NR3C1 (0.34) NR3C1ESR1ESR2
SCHEMBL6799265 0.63 ESR2 (0.43) OPRM1OPRD1OPRK1ESR1ESR2
Hydrochloric Acid SCHEMBL2390199 0.59 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL7212874 0.57 OPRM1 (0.42) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL13899941 0.57 ESR1 (0.54) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL14158763 0.57 ESR2 (0.41) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL26135919 0.56 MEN1 (0.42) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6940455 0.55 ESR2 (0.44) ESR1ESR2

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
EP-1339662-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2003-09-03 EP disclosed
WO-2002046134-A1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS III KARO BIO AB (SE) 2002-06-13 WO disclosed