SCHEMBL4728801

SCHEMBL4728801

CCC(CCC(=O)O)Oc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GCG P01275 3/20 0.32
ATM Q13315 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A9 P48067 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
PLA2G7 Q13093 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL3562321 0.83 SMN1; SMN2 (0.46) MAPTTP53SMN1; SMN2OPRD1PPARG
SCHEMBL3075680 0.79 LTA4H (0.46) FFAR4SMN1; SMN2PPARGPPARAPLA2G7
SCHEMBL3069744 0.78 LMNA (0.42) TP53SMN1; SMN2NPSR1ALDH1A1
SCHEMBL4728795 0.77 PPARA (0.40) SMN1; SMN2PPARGPPARAALDH1A1PLA2G7
SCHEMBL4617631 0.76 BCL9 (0.44) MAPTSMN1; SMN2OPRD1SLC6A2SLC6A3
SCHEMBL3074106 0.74 BCL2L1 (0.49) TP53SMN1; SMN2OPRD1ALDH1A1
SCHEMBL4617633 0.74 HTR7 (0.35) OPRD1SLC6A2SLC6A3CYP2C9PLA2G7
SCHEMBL3135618 0.74 ESR1 (0.54) MAPTOPRD1SLC6A2SLC6A3ALDH1A1
SCHEMBL3467780 0.73 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1PPARGPPARAALDH1A1
SCHEMBL3135615 0.72 ESR1 (0.39) MAPTSMN1; SMN2OPRD1SLC6A2SLC6A3

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-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed