SCHEMBL7518239

SCHEMBL7518239

CCCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.34
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDE9A O76083 1/20 0.33
RXRA P19793 1/20 0.33
CHRM4 P08173 1/20 0.33
AR P10275 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL7507636 0.94 NOTUM (0.36) NOTUMGRIA2GRIA4HSD11B1CYP11B2
SCHEMBL7514451 0.93 NOTUM (0.36) NOTUMGRIA2GRIA4HSD11B1CYP11B2
SCHEMBL8045787 0.92 GRIA2 (0.36) NOTUMGRIA2GRIA4CYP2C9HSD11B1
SCHEMBL7516185 0.92 NOTUM (0.39) NOTUMGRIA2GRIA4HSD11B1CYP11B2
SCHEMBL8047119 0.88 RARA (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL8046378 0.88 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL8048355 0.87 RARB (0.41) NOTUMGRIA2GRIA4RXRALTB4R2
SCHEMBL8045313 0.86 RARB (0.39) NOTUMGRIA2GRIA4ALDH1A1LTB4R2
SCHEMBL15945924 0.79 CYP2C9 (0.45) NOTUMCYP2C9ALDH1A1LMNAMAPT
SCHEMBL4650931 0.77 LTB4R2 (0.43) CYP2C9ALDH1A1LMNAMAPTCYP11B2

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 9 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-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
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
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
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed