SCHEMBL8029381

SCHEMBL8029381

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.51
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
HTR2A P28223 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
PTPN11 Q06124 1/20 0.34
PTPRO Q16827 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8042911 0.91 RARB (0.40) RARBHSD17B10TSHRFFAR1FFAR4
SCHEMBL8046441 0.91 RARB (0.51) RARBHSD17B10TSHRRARARARG
SCHEMBL9510917 0.89 RARB (0.56) RARBHSD17B10TSHRRARARARG
SCHEMBL9333963 0.86 RARB (0.56) RARBHSD17B10TSHRRARARARG
SCHEMBL8042603 0.86 RARB (0.43) RARBHSD17B10TSHRRARARARG
SCHEMBL29306087 0.85 TSHR (0.62) RARBHSD17B10TSHRRARARARG
SCHEMBL8729713 0.85 HSD17B10 (0.58) RARBHSD17B10TSHRRARARARG
SCHEMBL9512515 0.84 RARB (0.52) RARBHSD17B10TSHRRARARARG
SCHEMBL14525976 0.84 RARB (0.51) RARBHSD17B10TSHRRARARARG
SCHEMBL9511467 0.83 RARB (0.51) RARBHSD17B10TSHRRARARARG

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