SCHEMBL27470546

SCHEMBL27470546

CCCCCC1CCC(C(=O)O)(c2ccc(OCCCC)cc2)CC1.CCCCOC1CCC(c2ccc(OCC)cc2)C(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.43
TET3 O43151 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
TET1 Q8NFU7 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR5 Q9H228 2/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
MAPK1 P28482 1/20 0.34
ITGAV P06756 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8035917 0.83 KMT2A (0.61) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL10886888 0.81 MEN1 (0.68) KMT2AMEN1TSHRGPR119ITGB3
SCHEMBL7511985 0.80 KMT2A (0.67) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8043554 0.80 KMT2A (0.62) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8078676 0.79 KMT2A (0.64) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL7507062 0.77 KMT2A (0.71) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8045479 0.75 KMT2A (0.58) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL7514442 0.73 KMT2A (0.55) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL10272652 0.70 RAB9A (0.58) TSHRRAB9AS1PR5MAPK1
SCHEMBL2636679 0.70 KMT2A (0.88) KMT2AMEN1TSHRTET3FBXL19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169138-A Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition CHISSO CORP (JP) 1997-12-31 CN disclosed