SCHEMBL1765866

SCHEMBL1765866

CCC(C)(Oc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3O)oc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
PPARD Q03181 8/20 0.45
PPARG P37231 7/20 0.45
S1PR3 Q99500 8/20 0.34
S1PR5 Q9H228 8/20 0.34
S1PR1 P21453 7/20 0.34
SHMT1 P34896 1/20 0.32
TSHR P16473 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2466184 0.92 PPARD (0.52) PPARAPPARDPPARG
SCHEMBL20815372 0.92 PPARD (0.47) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL24742470 0.89 PPARD (0.45) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL30003542 0.89 PPARD (0.45) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL12732406 0.89 PPARD (0.45) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL2460886 0.88 PPARA (0.43) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL12732399 0.88 PPARG (0.49) PPARAPPARDPPARGS1PR3S1PR5
SCHEMBL2463893 0.85 PPARD (0.60) PPARAPPARDPPARGTSHRNPC1
SCHEMBL2460899 0.85 PPARD (0.59) PPARAPPARDPPARGMAPT
SCHEMBL2463427 0.84 PPARG (0.46) PPARAPPARDPPARGS1PR3S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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