SCHEMBL7516189

SCHEMBL7516189

CCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)c(F)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.41
EGLN2 Q96KS0 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
NR3C2 P08235 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL7910488 1.00 KDM1A (0.41) KDM1AEGLN2SLC22A12NR3C2CYP11B1
SCHEMBL5886343 0.92 CYP2C9 (0.41) KDM1AEGLN2SLC22A12
SCHEMBL8676866 0.92 CYP2C9 (0.41) KDM1AEGLN2SLC22A12
SCHEMBL8046380 0.90 EGLN2 (0.39) KDM1AEGLN2SLC22A12CYP11B1CYP11B2
SCHEMBL8678572 0.90 KDM1A (0.39) KDM1AEGLN2SLC22A12
SCHEMBL7507643 0.90 KDM1A (0.39) KDM1AEGLN2SLC22A12
SCHEMBL7514456 0.89 RARB (0.39) KDM1AEGLN2SLC22A12
SCHEMBL8677220 0.89 RARB (0.39) KDM1AEGLN2SLC22A12
SCHEMBL8047124 0.89 EGLN2 (0.38) KDM1AEGLN2
SCHEMBL8048358 0.88 RARB (0.44) KDM1AEGLN2

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 7 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
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