SCHEMBL8945772

SCHEMBL8945772

C[Si](C)(C)CNC(=O)C(F)(F)C(O)C(N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.56
LAP3 P28838 1/20 0.53
REN P00797 1/20 0.51
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
LNPEP Q9UIQ6 2/20 0.42
MAOB P27338 1/20 0.42
PPARD Q03181 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL7807967 0.89 LAP3 (0.43) LTA4HLAP3REN
SCHEMBL7423810 0.88 LTA4H (0.57) LTA4HLAP3RENPPARGPPARA
SCHEMBL8945580 0.80 LTA4H (0.54) LTA4HLAP3RENPPARGMAOB
SCHEMBL7418126 0.80 LTA4H (0.53) LTA4HLAP3RENPPARGPPARA
SCHEMBL7425726 0.80 LTA4H (0.51) LTA4HLAP3RENPPARGPPARA
SCHEMBL8945507 0.79 LTA4H (0.55) LTA4HLAP3RENPPARGLNPEP
SCHEMBL8945490 0.79 LTA4H (0.55) LTA4HLAP3RENPPARGLNPEP
SCHEMBL7421085 0.79 LTA4H (0.55) LTA4HLAP3RENPPARGLNPEP
SCHEMBL8945567 0.78 CTSD (0.53)
SCHEMBL7809177 0.76 TRPM8 (0.49)

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-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed