SCHEMBL8900328

SCHEMBL8900328

CCC1(C(=O)O)C2CC(Cc3cccc(Oc4ccc(Cl)cc4)c3)C(C#N)(C(=O)CN)C21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
FAAH O00519 7/20 0.34
LMNA P02545 2/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
MGLL Q99685 2/20 0.33
DAGLA Q9Y4D2 1/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32

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
SCHEMBL8892238 0.94 CCR8 (0.36) FFAR4LMNAADRA2ACNR1ATM
SCHEMBL8891904 0.88 GRM2 (0.36) ALDH1A1KCNH2DPP4FAP
SCHEMBL8902073 0.87 FAAH (0.36) PPARGPPARAALDH1A1FAAHDPP4
SCHEMBL8894509 0.86 TSHR (0.30)
SCHEMBL8891210 0.85 EPHX1 (0.35) ALDH1A1FFAR4
SCHEMBL8764713 0.84 ALDH1A1 (0.33) ALDH1A1FAAH
SCHEMBL8892171 0.83 GRM2 (0.37) DPP4FAP
SCHEMBL8902155 0.80 GRM2 (0.34) ALDH1A1L3MBTL1
SCHEMBL8762625 0.79 PPARG (0.36) PPARGPPARAALDH1A1FFAR4FAAH
SCHEMBL8892402 0.79 GRM2 (0.33)

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-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed