SCHEMBL7511079

SCHEMBL7511079

CCc1ccc(C(=O)O)c(-c2ccc(C#N)cc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 7/20 0.47
GRIA4 P48058 7/20 0.47
AR P10275 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MAP2K1 Q02750 1/20 0.39
XDH P47989 3/20 0.39
SLC22A12 Q96S37 3/20 0.39
CYP2A6 P11509 1/20 0.38
MMP2 P08253 1/20 0.38
PTGER4 P35408 1/20 0.38
RXRA P19793 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL7511313 0.91 GRIA2 (0.44) GRIA2GRIA4ARFNTAFNTB
SCHEMBL4651806 0.89 GRIA2 (0.43) GRIA2GRIA4ARFNTAFNTB
SCHEMBL7516259 0.87 TSHR (0.46) GRIA2GRIA4LTB4R2
SCHEMBL8034244 0.87 GRIA2 (0.40) GRIA2GRIA4ARFNTAFNTB
SCHEMBL8049053 0.85 GRIA2 (0.38) GRIA2GRIA4ARFNTAFNTB
SCHEMBL8036061 0.84 RARB (0.47) GRIA2GRIA4XDHMMP2PTGER4
SCHEMBL8048277 0.83 GRIA2 (0.38) GRIA2GRIA4ARFNTAFNTB
SCHEMBL8036180 0.83 RARB (0.43) GRIA2GRIA4MMP2PTGER4LTB4R2
SCHEMBL8678895 0.77 GRIA2 (0.41) GRIA2GRIA4ARMAP2K1XDH
SCHEMBL7516185 0.76 NOTUM (0.39) GRIA2GRIA4ARFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed