SCHEMBL8040919

SCHEMBL8040919

CC#CCCCc1ccc(C#Cc2cc(F)c(-c3ccc(CCC)cc3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
ACACB O00763 4/20 0.33
GPR84 Q9NQS5 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8046312 0.89 FFAR1 (0.35) RARBFFAR1FFAR4RARARARG
SCHEMBL8039120 0.81 ACACB (0.38) RARBFFAR1FFAR4RARARARG
SCHEMBL24401764 0.78 TSHR (0.42) RARBRARARARGHSD17B10TSHR
SCHEMBL8046307 0.76 TSHR (0.47) RARBFFAR1FFAR4RARAHSD17B10
SCHEMBL8042875 0.76 KCNH2 (0.40) FFAR1FFAR4HSD17B10TSHR
SCHEMBL8039112 0.76 FFAR1 (0.37) FFAR1ACACBNPC1MAPTMEN1
SCHEMBL8029213 0.75 ACACB (0.44) FFAR1FFAR4ACACB
SCHEMBL8040941 0.75 RARB (0.40) RARBFFAR1HSD17B10TSHRACACB
SCHEMBL8040080 0.75 KCNH2 (0.41) RARBFFAR1FFAR4RARARARG
SCHEMBL8040947 0.74 TSHR (0.46) RARBFFAR1FFAR4RARAHSD17B10

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