SCHEMBL1765993

SCHEMBL1765993

Cc1cc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)ccc1CC(O)=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
PPARG P37231 4/20 0.34
S1PR1 P21453 3/20 0.34
NR1H4 Q96RI1 1/20 0.33
CTNNB1 P35222 5/20 0.33
WNT3A P56704 5/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4752337 0.90 PPARG (0.34) PPARDPPARAPPARGS1PR1NR1H4
SCHEMBL2463130 0.86 WNT3A (0.36) PPARDPPARAPPARGNR1H4CTNNB1
SCHEMBL1765992 0.86 PPARD (0.48) PPARDPPARAPPARGMEN1MAPT
SCHEMBL2466122 0.84 PPARD (0.45) PPARDPPARAPPARGALDH1A1MEN1
SCHEMBL2462566 0.83 PPARD (0.40) PPARDPPARAPPARGALDH1A1MEN1
SCHEMBL2464421 0.83 PPARD (0.45) PPARDPPARAPPARGS1PR1WNT3A
SCHEMBL4789429 0.82 PPARD (0.36) PPARDPPARAPPARGS1PR1CTNNB1
SCHEMBL2464201 0.82 PPARD (0.49) PPARDPPARAPPARGWNT3ACTSA
SCHEMBL2466105 0.81 PPARD (0.37) PPARDPPARAPPARGS1PR1NR1H4
SCHEMBL4788692 0.80 PPARD (0.34) PPARDPPARAPPARGCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464349-A2 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES Cerenis Therapeutics S.A. (FR) 2012-06-20 EP disclosed
WO-2011020001-A9 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-05-26 WO disclosed
WO-2011020001-A2 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-02-17 WO disclosed
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed