SCHEMBL4773324

SCHEMBL4773324

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)Cc1cccc(SCOC(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
HTR2A P28223 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TSPO P30536 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL4631232 0.83 PPARG (0.45) CNR2PPARGPPARA
Tert-Butylamine SCHEMBL5313974 0.80 PPARG (0.43) CNR2PPARGPPARDPPARASOAT1
Amantadine SCHEMBL5311304 0.75 PPARG (0.39) CNR2HTR2APPARGPPARA
SCHEMBL4630699 0.74 LTB4R2 (0.46) CNR2HTR2APPARGPPARDPPARA
SCHEMBL4631128 0.74 CNR2 (0.42) CNR2HTR2APPARGPPARDPPARA
SCHEMBL4629932 0.72 HTR2A (0.49) CNR2HTR2APPARGPPARA
SCHEMBL4630557 0.70 HTR2A (0.47) CNR2HTR2APPARGPPARASOAT1
SCHEMBL4965873 0.70 SOAT1 (0.46) HTR2APPARGPPARDPPARAKDM4E
SCHEMBL3963243 0.70 NPC1 (0.47) HTR2AALDH1A1SOAT1
SCHEMBL3963129 0.70 NPC1 (0.47) HTR2AALDH1A1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517883-B8 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-05-21 EP disclosed
EP-1517883-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO disclosed