SCHEMBL8034244

SCHEMBL8034244

CCOCc1ccc(C(=O)O)c(-c2ccc(C#N)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.40
GRIA4 P48058 2/20 0.40
PTGER4 P35408 1/20 0.38
AR P10275 2/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
MMP2 P08253 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MMP3 P08254 1/20 0.34
AOC3 Q16853 1/20 0.34
RXRA P19793 1/20 0.34
KMT2A Q03164 1/20 0.33
PTGER1 P34995 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8049053 0.91 GRIA2 (0.38) GRIA2GRIA4PTGER4ARFNTA
SCHEMBL8036061 0.89 RARB (0.47) GRIA2GRIA4PTGER4MMP2LTB4R2
SCHEMBL8036180 0.88 RARB (0.43) GRIA2GRIA4PTGER4MMP2LTB4R2
SCHEMBL7511079 0.87 GRIA2 (0.47) GRIA2GRIA4PTGER4ARFNTA
SCHEMBL7511313 0.84 GRIA2 (0.44) GRIA2GRIA4PTGER4ARFNTA
SCHEMBL4651806 0.82 GRIA2 (0.43) GRIA2GRIA4ARFNTAFNTB
SCHEMBL7516259 0.81 TSHR (0.46) GRIA2GRIA4LTB4R2RARARARB
SCHEMBL8048277 0.77 GRIA2 (0.38) GRIA2GRIA4PTGER4ARFNTA
SCHEMBL8046378 0.76 NOTUM (0.36) GRIA2GRIA4RARARARBXDH
SCHEMBL8047119 0.71 RARA (0.36) GRIA2GRIA4MMP2RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed