SCHEMBL1765872

SCHEMBL1765872

CC(=O)Oc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
CCR5 P51681 2/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
FFAR1 O14842 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 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
SCHEMBL4754169 0.91 PPARD (0.38) PPARDPPARGPPARAMAPTLMNA
SCHEMBL4788833 0.90 PPARD (0.38) PPARDPPARGPPARACCR5MAPT
SCHEMBL4755245 0.90 SMN1; SMN2 (0.38) PPARDPPARGPPARAMAPTLMNA
SCHEMBL12732459 0.89 PPARD (0.42) PPARDPPARGPPARAMAPTLMNA
SCHEMBL12732398 0.89 MAPT (0.44) PPARDPPARGPPARAMAPTLMNA
SCHEMBL24658597 0.88 PPARD (0.40) PPARDPPARGPPARAMAPTLMNA
SCHEMBL12732397 0.88 PPARD (0.45) PPARDPPARGPPARAMAPTLMNA
SCHEMBL30002943 0.88 PPARD (0.40) PPARDPPARGPPARAMAPTLMNA
SCHEMBL12732454 0.87 PPARD (0.47) PPARDPPARGPPARAMAPTLMNA
SCHEMBL1765870 0.87 PPARD (0.49) PPARDPPARGPPARAMAPTFFAR1

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-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