SCHEMBL7072786

SCHEMBL7072786

CCCC1c2ccc(O)cc2C(C)C12C=c1ccc(O)cc1=C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.34
OPRM1 P35372 2/20 0.30
OPRK1 P41145 2/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL7071186 0.89 ESR1 (0.31)
SCHEMBL7073667 0.79 DYRK1A (0.34)
SCHEMBL6797675 0.69 SHBG (0.44) SHBGOPRM1OPRK1DRD2DRD3
SCHEMBL7072995 0.65 SHBG (0.31) SHBG
SCHEMBL6801524 0.60 OPRM1 (0.37) SHBGOPRM1OPRK1
SCHEMBL7073703 0.60 DYRK1A (0.34)
SCHEMBL806085 0.58 SHBG (0.47) SHBGOPRM1OPRK1
SCHEMBL14489029 0.56 SHBG (0.51) SHBGOPRM1OPRK1DRD2DRD3
SCHEMBL13303203 0.55 SHBG (0.37) SHBGDRD2DRD3
SCHEMBL13303151 0.54 DYRK1A (0.44) SHBG

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