SCHEMBL7507643

SCHEMBL7507643

CCCCC1CCC(c2ccc(C(=O)O)c(-c3ccc(C#N)c(F)c3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.39
RARB P10826 3/20 0.38
RARA P10276 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
RARG P13631 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
MCL1 Q07820 1/20 0.36
CHRM4 P08173 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
SCHEMBL8678572 1.00 KDM1A (0.39) KDM1ARARBRARASLC22A12RARG
SCHEMBL8677220 0.97 RARB (0.39) KDM1ARARBRARASLC22A12RARG
SCHEMBL7514456 0.97 RARB (0.39) KDM1ARARBRARASLC22A12RARG
SCHEMBL5886343 0.94 CYP2C9 (0.41) KDM1ASLC22A12EGLN2CHRM4
SCHEMBL8676866 0.94 CYP2C9 (0.41) KDM1ASLC22A12EGLN2CHRM4
SCHEMBL7516189 0.90 KDM1A (0.41) KDM1ASLC22A12EGLN2
SCHEMBL7910488 0.90 KDM1A (0.41) KDM1ASLC22A12EGLN2
SCHEMBL8048358 0.90 RARB (0.44) KDM1ARARBRARARARGEGLN2
SCHEMBL8045318 0.89 RARB (0.41) KDM1ARARBRARARARGEGLN2
SCHEMBL8047124 0.87 EGLN2 (0.38) KDM1ARARBRARAEGLN2MCL1

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
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