SCHEMBL12375031

SCHEMBL12375031

C=C(C)C(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)c(F)c3F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.35
AKR1C2 P52895 5/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KMT2A Q03164 1/20 0.31
AKR1C4 P17516 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL12375027 0.81 KMT2A (0.43) CYP4F2CYP4A11KMT2A
SCHEMBL20174174 0.77 AKR1C3 (0.35) AKR1C3AKR1C2KMT2A
SCHEMBL13963246 0.77 MAOA (0.35) KMT2A
SCHEMBL20365983 0.74 THRB (0.33) KMT2A
SCHEMBL12375046 0.74 MAPT (0.38) KMT2AFFAR4
SCHEMBL13963296 0.73 DHODH (0.31)
SCHEMBL22460832 0.73 AKR1C3 (0.32) AKR1C3AKR1C2KMT2A
SCHEMBL24799854 0.73 FFAR1 (0.40) CYP4F2CYP4A11FFAR4
SCHEMBL12375033 0.73 L3MBTL1 (0.38) AKR1C3AKR1C2AKR1C4FFAR4
SCHEMBL12375060 0.72 KMT2A (0.46) KMT2A

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