SCHEMBL7857686

SCHEMBL7857686

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(OC(F)(F)F)cc3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AR P10275 1/20 0.34
CHRNA7 P36544 1/20 0.34
CASR P41180 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PTGER4 P35408 1/20 0.31

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
SCHEMBL9508844 0.85 ACACB (0.40) ACACB
SCHEMBL9511434 0.85 APP (0.42) ACACBMAOBAOC3
SCHEMBL9510156 0.84 ACACB (0.39) ACACBL3MBTL1CHRNA7
SCHEMBL9512429 0.84 ACACB (0.43) ACACBCHRNA7
SCHEMBL7851561 0.82 FFAR1 (0.45) ACACBMAOBAOC3LMNAFFAR1
SCHEMBL7859866 0.82 FFAR1 (0.39) ACACBLMNAFFAR1CTSLCTSS
SCHEMBL7859812 0.82 FFAR1 (0.37) LMNAFFAR1CTSLCTSSCTSK
SCHEMBL9510227 0.82 NR5A1 (0.41) ACACBL3MBTL1TSHR
SCHEMBL7851732 0.80 FFAR1 (0.40) ACACBFFAR1
SCHEMBL7859815 0.80 FFAR1 (0.36) FFAR1CTSLCTSSCTSK

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
US-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed