SCHEMBL28563446

SCHEMBL28563446

C=CC(=O)OC(C)Oc1ccc(C(CC)c2ccc(OC(C)OC(=O)C=C)cc2OCC)c(OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ACACB O00763 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HIF1A Q16665 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TET3 O43151 1/20 0.34
KMT2A Q03164 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34
CXXC5 Q7LFL8 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CXXC4 Q9H2H0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL3440798 0.86 THRB (0.46) KDM4EACACBAKR1C3AKR1C2HIF1A
SCHEMBL28465620 0.83 KDM4E (0.43) KDM4EACACBAKR1C3AKR1C2HIF1A
SCHEMBL28562293 0.82 THRB (0.43) KDM4EACACBAKR1C3AKR1C2HIF1A
SCHEMBL20394020 0.82 KDM4E (0.39) KDM4EACACBAKR1C3AKR1C2HIF1A
SCHEMBL9601240 0.80 THRB (0.39) KDM4EACACBPOLBTHRBALDH1A1
SCHEMBL27608672 0.79 THRB (0.40) KDM4EACACBAKR1C3AKR1C2HIF1A
SCHEMBL10630805 0.78 THRB (0.41) ACACBAKR1C3AKR1C2HIF1ATHRB
SCHEMBL27945548 0.78 THRB (0.46) KDM4EAKR1C3POLBTHRBSMN1; SMN2
SCHEMBL28121766 0.77 L3MBTL1 (0.46) KDM4EACACBTHRBALDH1A1KMT2A
SCHEMBL13296348 0.75 CYP1A2 (0.45) ACACBTHRBTAS1R3TAS1R1KMT2A

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-107949584-B Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2021-04-27 CN disclosed