SCHEMBL8029167

SCHEMBL8029167

CCCC#CCC1CCC(c2ccc(C#Cc3ccc(CCC)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
ACACB O00763 4/20 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
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
SPHK2 Q9NRA0 7/20 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
SCHEMBL8040078 0.93 SPHK1 (0.44) SPHK1ACACBSPHK2
SCHEMBL8040931 0.91 SPHK1 (0.49) SPHK1ACACBSPHK2
SCHEMBL8040962 0.91 SPHK1 (0.41) SPHK1ACACBSPHK2
SCHEMBL8046325 0.88 SPHK1 (0.41) SPHK1ACACBSPHK2
SCHEMBL8042740 0.84 DRD2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8046316 0.84 SPHK1 (0.39) SPHK1SPHK2
SCHEMBL8039296 0.83 FFAR1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8041025 0.83 FFAR1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8042841 0.82 SPHK1 (0.53) SPHK1SPHK2
SCHEMBL8046489 0.82 ACACB (0.42) ACACB

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