SCHEMBL7974188

SCHEMBL7974188

CCC(Oc1cccc2c1OCc1sc(SCc3ccccc3-c3ccccc3-c3ccc4ccccc4c3)nc1-2)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
FABP4 P15090 2/20 0.34
FABP3 P05413 1/20 0.34
S1PR5 Q9H228 5/20 0.33
S1PR4 O95977 4/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
EIF4E P06730 2/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL7521983 0.86 PPARD (0.38) PPARGPPARAFABP4S1PR5S1PR4
SCHEMBL7523563 0.83 PPARD (0.39) PPARGPPARAFABP4S1PR5S1PR4
SCHEMBL7962753 0.76 PPARA (0.38) PPARGPPARAFABP4KDM4EMEN1
SCHEMBL7976487 0.73 PPARA (0.37) PPARGPPARAMEN1ALDH1A1MAPT
SCHEMBL7523867 0.72 PPARD (0.40) MEN1MAPTKMT2AEIF4ETP53
SCHEMBL7527935 0.70 PPARD (0.41) PPARGPPARAS1PR5S1PR4MEN1
SCHEMBL7974190 0.70 PPARA (0.38) PPARGPPARAFABP4S1PR5S1PR4
SCHEMBL7962722 0.68 ADORA1 (0.38) PPARGPPARAFABP4KDM4EMEN1
SCHEMBL7521850 0.67 PPARA (0.37) PPARGPPARAFABP4KDM4EALDH1A1
SCHEMBL7530733 0.67 PTGIR (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A

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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed