SCHEMBL994765

SCHEMBL994765

CC1(c2ccc3c(c2)OCO3)NC(=O)N(CCCCOc2ccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.53
NR1H3 Q13133 15/20 0.48
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL994812 0.98 NR1H2 (0.51) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL994166 0.94 NR1H2 (0.53) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL994844 0.94 NR1H2 (0.52) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL994593 0.92 NR1H2 (0.49) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL995201 0.92 NR1H2 (0.51) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL12392225 0.92 NR1H2 (0.46) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3171339 0.91 NR1H2 (0.50) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL2350388 0.91 NR1H2 (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL997377 0.90 NR1H2 (0.47) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL12392215 0.90 NR1H2 (0.43) NR1H2NR1H3PPARGPPARDPPARA

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
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed