SCHEMBL7516185

SCHEMBL7516185

CCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
CYP11B2 P19099 6/20 0.35
CYP11B1 P15538 4/20 0.35
RORC P51449 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HSD11B1 P28845 2/20 0.34
AR P10275 1/20 0.34
RXRA P19793 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGER4 P35408 1/20 0.33
PGR P06401 1/20 0.32
USP14 P54578 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
SCHEMBL7518239 0.92 NOTUM (0.38) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL7507636 0.90 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL8046378 0.90 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL7514451 0.89 NOTUM (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL8047119 0.88 RARA (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL8048355 0.87 RARB (0.41) NOTUMGRIA2GRIA4RXRAPGR
SCHEMBL8045313 0.86 RARB (0.39) NOTUMGRIA2GRIA4
SCHEMBL8045787 0.83 GRIA2 (0.36) NOTUMGRIA2GRIA4CYP11B2CYP11B1
SCHEMBL7511079 0.76 GRIA2 (0.47) GRIA2GRIA4XDHSLC22A12AR
SCHEMBL7511313 0.73 GRIA2 (0.44) GRIA2GRIA4XDHSLC22A12AR

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 12 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
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US 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-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US 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
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed