SCHEMBL12375027

SCHEMBL12375027

C=C(C)C(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
FFAR1 O14842 3/20 0.38
ASAH1 Q13510 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 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
SCHEMBL12375046 0.92 MAPT (0.38) KMT2AFFAR1ASAH1MAPTALDH1A1
SCHEMBL12375060 0.90 KMT2A (0.46) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL12375023 0.88 THRB (0.44) KMT2AFFAR1ASAH1MAPTALDH1A1
SCHEMBL12375057 0.88 THRB (0.44) KMT2AFFAR1ASAH1MAPTALDH1A1
SCHEMBL12375045 0.88 MAPT (0.41) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL12375035 0.84 THRB (0.47) KMT2AFFAR1MAPTALDH1A1LMNA
SCHEMBL24799854 0.83 FFAR1 (0.40) FFAR1ALDH1A1CYP4F2CYP4A11THRB
SCHEMBL17433325 0.83 KMT2A (0.54) KMT2AFFAR1MAPTALDH1A1LMNA
SCHEMBL12375055 0.82 FFAR1 (0.40) KMT2AFFAR1HTTTHRBMEN1
SCHEMBL12375029 0.82 FFAR1 (0.40) KMT2AFFAR1HTTTHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed