SCHEMBL8892238

SCHEMBL8892238

CCC1(C(=O)O)C2CC(Cc3cccc(Oc4ccccc4)c3)C(C#N)(C(=O)CN)C21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
CNR1 P21554 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 2/20 0.36
FAP Q12884 2/20 0.36
DPP7 Q9UHL4 1/20 0.34
MGLL Q99685 1/20 0.34
FFAR1 O14842 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL8900328 0.94 PPARG (0.36) CCR8TDP1LMNAADRA2ACNR1
SCHEMBL8891904 0.92 GRM2 (0.36) DPP4FAPFFAR1MEN1KMT2A
SCHEMBL8902073 0.91 FAAH (0.36) DPP4FAP
SCHEMBL8891210 0.89 EPHX1 (0.35) CETPTSHRFFAR4
SCHEMBL8764713 0.87 ALDH1A1 (0.33)
SCHEMBL8892171 0.86 GRM2 (0.37) DPP4FAPDPP7
SCHEMBL8901107 0.83 CTSC (0.32) DPP4FAPDPP7
SCHEMBL8902155 0.82 GRM2 (0.34) L3MBTL1TSHR
SCHEMBL8894509 0.81 TSHR (0.30) TSHR
SCHEMBL8892402 0.80 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