SCHEMBL5147396

SCHEMBL5147396

C=C(C)C(=O)C(=O)CCCOC(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
ESR1 P03372 6/20 0.45
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39

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
SCHEMBL4639916 0.84 HDAC6 (0.49) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL4640914 0.84 HDAC6 (0.52) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL4640493 0.82 HDAC6 (0.54) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL4640499 0.82 HDAC6 (0.54) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL4639937 0.82 HDAC6 (0.54) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL4640172 0.81 POLB (0.45) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL5145266 0.80 HDAC6 (0.45) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL27830191 0.79 ESR1 (0.70) HDAC6ESR1KDM4EPOLBHSP90AA1
Ethane SCHEMBL10824994 0.78 CA12 (0.53) HDAC6ESR1KDM4EPOLBHSP90AA1
SCHEMBL9546478 0.78 SERPINE1 (0.46) HDAC6ESR1KDM4EPOLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070047038-A1 Hologram recording method, hologram recording material, optical recording medium FUJI PHOTO FILM CO., LTD. 2007-03-01 US disclosed