SCHEMBL3454615

SCHEMBL3454615

Cc1nc(-c2c(OCc3ccc(OC(F)F)cc3)cc[nH]c2=O)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.49
SCD O00767 5/20 0.44
PPARD Q03181 5/20 0.42
PPARG P37231 2/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3455023 0.90 SCD (0.51) PPARASCDPPARDLMNAMAPT
SCHEMBL3456448 0.90 SCD (0.51) PPARASCDPPARDLMNAMAPT
SCHEMBL3455523 0.84 SCD (0.54) PPARASCDLMNAMAPTPOLB
SCHEMBL3455858 0.84 SCD (0.54) SCD
SCHEMBL3454951 0.81 SMN1; SMN2 (0.42) PPARAPPARDLMNAMAPTL3MBTL1
SCHEMBL3454273 0.81 SCD (0.50) PPARASCDPPARD
SCHEMBL3454545 0.81 SCD (0.49) PPARASCDPPARDPPARG
SCHEMBL3454226 0.81 PPARA (0.53) PPARASCDPPARDPPARG
SCHEMBL3454598 0.80 SCD (0.56) PPARASCDPPARDMAPT
SCHEMBL3454678 0.79 ALDH1A1 (0.48) LMNAMAPT

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-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed