SCHEMBL8042641

SCHEMBL8042641

CC#CCc1ccc(C#Cc2ccc(-c3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACACB O00763 5/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
FFAR1 O14842 4/20 0.37
FFAR4 Q5NUL3 2/20 0.37
MCL1 Q07820 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL8046400 0.95 ACACB (0.45) ACACBFFAR1FFAR4LPLLIPG
SCHEMBL8041050 0.89 HSD17B10 (0.58) TSHRHSD17B10FFAR1FFAR4HRH3
SCHEMBL9333020 0.87 CYP1A1 (0.53) TSHRHSD17B10ACACBCYP1A1CYP1A2
SCHEMBL8046336 0.87 HSD17B10 (0.60) TSHRHSD17B10FFAR1FFAR4HRH3
SCHEMBL8029188 0.86 ACACB (0.46) TSHRHSD17B10ACACBCYP1A1CYP1A2
SCHEMBL8040160 0.86 CYP2A6 (0.44) TSHRHSD17B10ACACBCYP1A1CYP1A2
SCHEMBL8982445 0.85 CYP1A1 (0.55) TSHRHSD17B10ACACBCYP1A1CYP1A2
SCHEMBL8029369 0.85 TSHR (0.41) TSHRHSD17B10ACACBCYP1A1CYP1A2
SCHEMBL8046312 0.84 FFAR1 (0.35) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL8040941 0.83 RARB (0.40) TSHRHSD17B10ACACBFFAR1

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