SCHEMBL8083196

SCHEMBL8083196

C=CC(=O)OCCCCCCCCCCOc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
THRB P10828 1/20 0.45
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.42
KDM4E B2RXH2 7/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
AR P10275 1/20 0.41
MMP3 P08254 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
Benzoic Acid SCHEMBL21808557 0.87 THRB (0.50) KMT2AGAATHRBALDH1A1HTT
SCHEMBL27037040 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL1947089 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL29315438 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL27352690 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL27463502 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL17723354 0.85 KMT2A (0.60) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL16225744 0.83 THRB (0.50) KMT2AGAATHRBCYP3A4TSHR
SCHEMBL10441458 0.83 KMT2A (0.45) KMT2AGAATHRBALDH1A1CYP3A4
SCHEMBL8631711 0.83 POLB (0.47) KMT2AGAAALDH1A1TSHRHTT

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
JP-2000264965-A LIQUID CRYSTALLINE DENDRIMER AND ITS PRODUCTION JAPAN CHEMICAL INNOVATION INSTITUTE 2000-09-26 JP disclosed