SCHEMBL3971577

SCHEMBL3971577

CCc1nc(Oc2ccc(CC(C)(C)Oc3ccccc3)cc2)cc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.63
CASP1 P29466 2/20 0.41
CASP5 P51878 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CASP4 P49662 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2804551 0.89 PPARG (0.80) PPARGCASP1CASP5CASP4
SCHEMBL2807357 0.78 PPARG (0.83) PPARGCASP1CASP5CASP4
SCHEMBL2807168 0.78 PPARG (0.83) PPARGCASP1CASP5CASP4
SCHEMBL2805018 0.78 PPARG (0.83) PPARGCASP1CASP5CASP4
SCHEMBL2812228 0.77 PPARG (1.00) PPARGCASP1CASP5CASP4
SCHEMBL2805810 0.77 PPARG (1.00) PPARGCASP1CASP5CASP4
SCHEMBL2809044 0.77 PPARG (1.00) PPARGCASP1CASP5CASP4
SCHEMBL2807939 0.77 PPARG (0.78) PPARGCASP1CASP5KDM4ECASP4
SCHEMBL2805994 0.77 PPARG (0.80) PPARGCASP1CASP5ALDH1A1CASP4
SCHEMBL2806834 0.77 PPARG (0.80) PPARGCASP1CASP5MAPTKDM4E

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-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 WO disclosed