SCHEMBL3022254

SCHEMBL3022254

C=C(C)C(=O)OCCc1ccc(C2(c3ccc(CCO)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
PDK2 Q15119 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
POLB P06746 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 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
SCHEMBL10092975 0.89 THRB (0.36) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL4205858 0.83 POLB (0.44) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL13221752 0.82 THRB (0.49) PTGS2MAPTSMN1; SMN2THRBCYP4F2
SCHEMBL157502 0.82 POLB (0.48) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL30800968 0.82 POLB (0.48) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL868671 0.79 MEN1 (0.53) PTGS2PDK2MEN1KMT2AKDM4E
SCHEMBL29690347 0.79 MEN1 (0.53) PTGS2PDK2MEN1KMT2AKDM4E
SCHEMBL14889149 0.79 POLB (0.45) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL534807 0.79 POLB (0.53) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL13878666 0.78 POLB (0.44) PDK2MEN1KMT2AKDM4ELMNA

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-8399156-B2 Volume phase hologram recording material and optical information recording medium using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2013-03-19 US disclosed
US-20100203429-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM USING THE SAME NIPPON STEEL CHEMICAL CO., LTD. (JP) 2010-08-12 US disclosed