SCHEMBL24929910

SCHEMBL24929910

COc1ccc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.83
ATM Q13315 1/20 0.83
KMT2A Q03164 4/20 0.68
MEN1 O00255 2/20 0.68
MAPT P10636 1/20 0.68
F3 P13726 2/20 0.64
GSK3B P49841 2/20 0.60
BACE1 P56817 1/20 0.59
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
BCHE P06276 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL18121572 0.93 KMT2A (0.76) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL58700 0.91 THRB (1.00) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL58699 0.91 THRB (1.00) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL12473722 0.91 THRB (1.00) THRBATMKMT2AMEN1MAPT
SCHEMBL7694734 0.90 KMT2A (0.69) THRBATMKMT2AMEN1MAPT
SCHEMBL7694732 0.90 KMT2A (0.69) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL5330596 0.90 THRB (0.96) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL2298853 0.90 THRB (0.96) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL10935651 0.90 THRB (0.96) THRBATMKMT2AMEN1MAPT
4-Methoxycinnamic Acid SCHEMBL8500105 0.90 THRB (0.96) THRBATMKMT2AMEN1MAPT

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
WO-2023008488-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-02-02 WO disclosed