SCHEMBL19704831

SCHEMBL19704831

OOc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.57
▸ FFAR1 O14842 7/20 0.57
▸ MAPT P10636 1/20 0.50
▸ HAO1 Q9UJM8 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ GRM5 P41594 1/20 0.41

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
SCHEMBL3839253 0.85 APP (0.63) APPFFAR1MAPTHAO1PPARG
SCHEMBL6727043 0.83 LTA4H (0.60) APPFFAR1MAPTHAO1CHRNB2
SCHEMBL14380094 0.83 LTA4H (0.60) APPFFAR1MAPTHAO1CHRNB2
SCHEMBL13283919 0.80 LTA4H (0.68) APPFFAR1MAPTHAO1
SCHEMBL6287635 0.80 LTA4H (0.63) APPFFAR1MAPTCA1CA2
SCHEMBL5414558 0.79 APP (0.55) APPFFAR1MAPTHAO1CHRNB2
SCHEMBL5406443 0.79 APP (0.55) APPFFAR1MAPTHAO1PPARG
SCHEMBL2114741 0.79 APP (0.92) APPFFAR1MAPTNPC1FFAR4
SCHEMBL5552160 0.76 APP (0.65) APPFFAR1MAPTCHRNB2CHRNB4
SCHEMBL88339 0.76 — —

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-20170355907-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY, PHASE DIFFERENCE FILM, ANTIREFLECTION FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING COMPOSITION DIC CORPORATION (JP) 2017-12-14 — — US disclosed
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