SCHEMBL8042911

SCHEMBL8042911

CCC#CCc1ccc(C#Cc2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
ACACB O00763 4/20 0.37
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 1/20 0.32
FFAR1 O14842 4/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
KDM1A O60341 1/20 0.31
TSHR P16473 1/20 0.31
CHKA P35790 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8029381 0.91 RARB (0.51) RARBHSD17B10TP53FFAR1S1PR1
SCHEMBL8046456 0.91 RARB (0.39) RARBACACBHSD17B10NPC1TP53
SCHEMBL8040941 0.90 RARB (0.40) RARBACACBHSD17B10NPC1TP53
SCHEMBL8042603 0.89 RARB (0.43) RARBACACBHSD17B10GRM5FFAR1
SCHEMBL8039120 0.86 ACACB (0.38) RARBACACBHSD17B10NPC1TP53
SCHEMBL8466430 0.84 TSHR (0.48) RARBHSD17B10FFAR1KDM1ATSHR
SCHEMBL9510917 0.84 RARB (0.56) RARBHSD17B10TP53S1PR1S1PR3
SCHEMBL9159864 0.84 RARB (0.43) RARBGRM5FFAR1TSHRFFAR4
SCHEMBL9337254 0.84 RARB (0.43) RARBHSD17B10NPC1TP53PKM
SCHEMBL8029188 0.83 ACACB (0.46) ACACBHSD17B10NPC1RAB9AFFAR1

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