SCHEMBL8040947

SCHEMBL8040947

CCC#CCCCc1ccc(C#Cc2ccc(-c3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACACB O00763 3/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
RARB P10826 6/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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 0.92 TSHR (0.47) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL8029133 0.87 FFAR1 (0.47) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL8029188 0.85 ACACB (0.46) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL9333056 0.85 TSHR (0.45) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL8040999 0.85 FFAR1 (0.44) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL9332983 0.84 FFAR1 (0.55) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL9335385 0.82 HSD17B10 (0.54) TSHRHSD17B10FFAR1FFAR4RARB
SCHEMBL8729713 0.81 HSD17B10 (0.58) TSHRHSD17B10FFAR1FFAR4RARB
SCHEMBL8029369 0.81 TSHR (0.41) TSHRHSD17B10ACACBFFAR1FFAR4
SCHEMBL9333420 0.81 HSD17B10 (0.61) TSHRHSD17B10FFAR1FFAR4RARB

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