SCHEMBL13868002

SCHEMBL13868002

O=CCc1csc2cc(SCc3cccc4nc(-c5ccc(C(F)(F)F)cc5)oc34)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.35
PPARD Q03181 8/20 0.35
PPARG P37231 7/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
HSPD1 P10809 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN5 P54829 1/20 0.31
HSPE1 P61604 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL3922058 0.88 PPARA (0.47) PPARAPPARDPPARGTP53MAPT
SCHEMBL13868064 0.84 PPARD (0.51) PPARAPPARDPPARG
SCHEMBL3931391 0.73 PPARG (0.50) PPARAPPARDPPARGTP53MAPT
SCHEMBL3924017 0.73 PPARD (0.68) PPARAPPARDPPARG
SCHEMBL3921059 0.73 PPARD (0.45) PPARAPPARDPPARGMTNR1AMTNR1B
SCHEMBL13647654 0.72 PPARD (0.44) PPARAPPARDPPARGMTNR1AMTNR1B
SCHEMBL3927910 0.72 PPARD (0.51) PPARAPPARDPPARGTP53MAPT
SCHEMBL3928990 0.71 PPARD (0.58) PPARAPPARDPPARGPTPN1
SCHEMBL3918024 0.71 PPARD (0.70) PPARAPPARDPPARG
SCHEMBL3919871 0.71 PPARD (0.58) PPARAPPARDPPARG

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-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed