SCHEMBL8029133

SCHEMBL8029133

CCCC#CCCCc1ccc(C#Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
ACACB O00763 4/20 0.43
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TNK2 Q07912 1/20 0.39
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL8046307 0.95 TSHR (0.47) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8029496 0.87 ACACB (0.44) FFAR1FFAR4ACACBLPLLIPG
SCHEMBL9335379 0.87 FFAR1 (0.50) FFAR1FFAR4ACACBTNK2GABRP
SCHEMBL8040947 0.87 TSHR (0.46) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8041082 0.84 FFAR1 (0.49) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL9332573 0.84 FFAR1 (0.55) FFAR1FFAR4TSHRHSD17B10TNK2
SCHEMBL9333577 0.84 FFAR1 (0.59) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8029369 0.83 TSHR (0.41) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL9328415 0.83 HSD17B10 (0.50) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL4650975 0.83 HSD17B10 (0.50) FFAR1FFAR4ACACBTSHRHSD17B10

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