SCHEMBL12242537

SCHEMBL12242537

C=C(C)C(=O)COc1ccc(C#Cc2ccc(/C=C/C(=O)Oc3ccc(C(=O)OCOC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 6/20 0.35
MEN1 O00255 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
PRKCA P17252 2/20 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
SCHEMBL12242539 0.93 KMT2A (0.40) KMT2AKDM4EMAPTPOLBAPEX1
SCHEMBL12242508 0.89 CASP3 (0.38) KMT2AKDM4EPOLBAPEX1HTT
SCHEMBL12242504 0.88 TDP1 (0.44) KMT2AMAPTPOLBAPEX1HTT
SCHEMBL12242512 0.83 POLB (0.42) KMT2AMAPTPOLBAPEX1HTT
SCHEMBL12242535 0.82 FDPS (0.35) KMT2AKDM4EMAPTMAOBMEN1
SCHEMBL12242510 0.82 FDPS (0.35) KMT2AKDM4EMAPTMAOBMEN1
SCHEMBL13963268 0.80 KMT2A (0.39) KMT2AKDM4EMAPTPOLBMEN1
SCHEMBL13963230 0.79 KMT2A (0.36) KMT2AKDM4EMAPTPOLBAPEX1
SCHEMBL17754302 0.78 KMT2A (0.47) KMT2AKDM4EMAPTHTTMAOB
SCHEMBL12242481 0.78 FFAR1 (0.44) POLBAPEX1HTTTDP1

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