SCHEMBL4018368

SCHEMBL4018368

CC1(C)OB(c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.55
NR1H3 Q13133 9/20 0.55
RXRA P19793 1/20 0.50
PPARG P37231 1/20 0.43
TOP2A P11388 2/20 0.39
NCF1 P14598 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
PARP1 P09874 1/20 0.35
SCN9A Q15858 1/20 0.35
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK3 O43781 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
FLT4 P35916 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL4160395 0.80 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL4012984 0.79 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL4013608 0.77 NCF1 (0.44) NR1H2NR1H3RXRANCF1PTGDR2
SCHEMBL22963781 0.77 LPL (0.40) LPLLIPG
SCHEMBL31577388 0.77 LPL (0.40) LPLLIPG
SCHEMBL6024715 0.76 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL1125582 0.76 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL24654432 0.76 LIPG (0.56) LPLLIPG
SCHEMBL25681062 0.76 LIPG (0.56) LPLLIPG
SCHEMBL30009475 0.76 LIPG (0.56) LPLLIPG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed