SCHEMBL5684668

SCHEMBL5684668

CCC[C@@H]1CC[C@@H]2c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
AKR1C3 P42330 1/20 0.35
FFAR1 O14842 2/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
ACACB O00763 1/20 0.32
HCRTR1 O43613 2/20 0.31
HSD17B2 P37059 1/20 0.31
LIPE Q05469 2/20 0.31
HCRTR2 O43614 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
HSD17B1 P14061 2/20 0.30
PPARG P37231 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5684671 1.00 PPARA (0.37) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5885067 0.94 PPARD (0.38) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5885070 0.94 PPARD (0.38) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5684862 0.93 PPARD (0.38) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5684859 0.93 PPARD (0.38) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5687235 0.93 PPARD (0.37) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5687231 0.93 PPARD (0.37) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5683415 0.93 PPARD (0.37) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5683410 0.93 PPARD (0.37) PPARAPPARDAKR1C3FFAR1PPIB
SCHEMBL5687260 0.92 PPARA (0.38) PPARAPPARDAKR1C3FFAR1PPIB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed