SCHEMBL8846653

SCHEMBL8846653

CCCCC#Cc1ccc(C#Cc2ccc(C#CCCCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
TNK2 Q07912 1/20 0.49
KCNH2 Q12809 5/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42

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
SCHEMBL5886588 0.98 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL9332515 0.90 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL28739809 0.89 KCNH2 (0.54) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5886652 0.88 FFAR1 (0.63) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL9333042 0.88 LTA4H (0.47) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL9333032 0.88 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL9333577 0.88 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL4623168 0.87 FFAR1 (0.46) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL5886646 0.87 KCNH2 (0.55) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL7031654 0.87 FFAR1 (0.50) FFAR1FFAR4MMP2MMP12TNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5626792-A DIPHENYLACETYLENE ESTERS, THIOESTERS OR DITHIOESTERS DISPLAYTECH, INC. (US) 1997-05-06 US disclosed