SCHEMBL8046312

SCHEMBL8046312

CC#CCc1ccc(C#Cc2cc(F)c(-c3ccc(CCC)cc3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.35
ACACB O00763 5/20 0.35
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 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
SCHEMBL8039120 0.90 ACACB (0.38) FFAR1ACACBNPC1MAPTRAB9A
SCHEMBL8040919 0.89 RARB (0.36) FFAR1ACACBNPC1MAPTRAB9A
SCHEMBL8039112 0.86 FFAR1 (0.37) FFAR1ACACBNPC1MAPTMEN1
SCHEMBL8040941 0.86 RARB (0.40) FFAR1ACACBNPC1RAB9AHSD17B10
SCHEMBL8042641 0.84 TSHR (0.42) FFAR1ACACBHSD17B10TSHRNISCH
SCHEMBL8039099 0.83 FFAR1 (0.41) FFAR1ACACBFFAR4
SCHEMBL8046400 0.83 ACACB (0.45) FFAR1ACACBFFAR4
SCHEMBL8039126 0.80 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL8041001 0.78 KCNH2 (0.36) FFAR1ACACB
SCHEMBL8046441 0.78 RARB (0.51) FFAR1MAPTRAB9AHSD17B10MEN1

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
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed