SCHEMBL12242514

SCHEMBL12242514

C=CC(=O)COc1ccc(C#Cc2ccc(C(=O)Oc3ccc(OCOC(=O)C=C)c(OC)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
KMT2A Q03164 6/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G4B P0C869 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
TP53 P04637 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 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
SCHEMBL12242483 0.90 FFAR1 (0.39) ACHEMAPTPLA2G4BKDM4ELMNA
SCHEMBL12242515 0.88 FFAR1 (0.32)
SCHEMBL12242511 0.86 FFAR1 (0.38) KMT2AMAPTCYP3A4LMNAPRSS1
SCHEMBL12242566 0.85 FFAR1 (0.39) ACHEMAPT
SCHEMBL16449838 0.84 KMT2A (0.50) ACHEKMT2AMAPTMEN1CYP3A4
SCHEMBL12242534 0.83 FFAR1 (0.37) KMT2AMAPTCYP3A4LMNAPRSS1
SCHEMBL12733741 0.82 KMT2A (0.48) KMT2AMAPTMEN1CYP3A4TDP1
SCHEMBL19759244 0.81 THRB (0.33)
SCHEMBL12242503 0.80 FFAR1 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL12242532 0.80 FFAR1 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed