SCHEMBL8078676

SCHEMBL8078676

CCCCOC1CCC(C(=O)O)(c2ccc(OCC)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
TSHR P16473 2/20 0.57
TET3 O43151 1/20 0.52
FBXL19 Q6PCT2 1/20 0.52
CXXC5 Q7LFL8 1/20 0.52
TET1 Q8NFU7 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
CXXC4 Q9H2H0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
NPSR1 Q6W5P4 1/20 0.41
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8043554 0.84 KMT2A (0.62) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8035917 0.83 KMT2A (0.61) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL2636679 0.81 KMT2A (0.88) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL4342214 0.81 KMT2A (0.68) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8045479 0.81 KMT2A (0.58) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL28507069 0.81 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL7507062 0.80 KMT2A (0.71) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL27470546 0.79 KMT2A (0.48) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL11232365 0.79 KMT2A (0.73) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL9842669 0.78 MEN1 (0.46) KMT2AMEN1TSHRALDH1A1

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
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP disclosed