SCHEMBL4728795

SCHEMBL4728795

CCC(CCOc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
MAPK1 P28482 1/20 0.38
PLA2G7 Q13093 2/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NR4A2 P43354 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 2/20 0.35
MAOB P27338 1/20 0.34
LSS P48449 1/20 0.34
DRD1 P21728 1/20 0.34
PTGER2 P43116 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL3075680 0.81 LTA4H (0.46) PPARAPPARDPLA2G7KDM4ESMN1; SMN2
SCHEMBL3562321 0.81 SMN1; SMN2 (0.46) PPARAPPARDSMN1; SMN2PPARG
SCHEMBL3069744 0.80 LMNA (0.42) MAPK1KDM4ESMN1; SMN2NR4A2MAOB
SCHEMBL3082749 0.80 NR1I2 (0.43) PLA2G7MAOBLSSALDH1A1
SCHEMBL3087766 0.78 HRH2 (0.44) SMN1; SMN2HRH2HRH1MAOB
SCHEMBL4728801 0.77 FFAR4 (0.34) PPARAPLA2G7SMN1; SMN2PPARGALDH1A1
SCHEMBL3078338 0.76 PLA2G7 (0.39) MAPK1PLA2G7SMN1; SMN2LSSALDH1A1
SCHEMBL3074106 0.74 BCL2L1 (0.49) KDM4ESMN1; SMN2NR4A2ALDH1A1
SCHEMBL3135618 0.74 ESR1 (0.54) KDM4EMAOBALDH1A1
SCHEMBL4617631 0.73 BCL9 (0.44) KDM4ESMN1; SMN2FAAHHTTALDH1A1

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