SCHEMBL4400571

SCHEMBL4400571

CCCCOC(C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
DBH P09172 1/20 0.56
RECQL P46063 1/20 0.56
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ESR1 P03372 4/20 0.47
APP P05067 2/20 0.45
XDH P47989 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14153572 0.86 ESR1 (0.58) KDM4EGAAESR1XDHLMNA
SCHEMBL17636414 0.85 KDM4E (0.56) KDM4EGAADBHRECQLCA12
SCHEMBL13660388 0.84 KDM4E (0.51) KDM4EGAADBHRECQLCA12
SCHEMBL28385696 0.80 PGR (0.47) GAALMNATSHRSMN1; SMN2MAPT
SCHEMBL13660253 0.79 ALDH1A1 (0.46) TSHR
SCHEMBL16221406 0.78 KMT2A (0.55) LMNAMAPK1SMPD1L3MBTL1
SCHEMBL28553588 0.77 GAA (0.55) GAASLC6A2SLC6A3SMN1; SMN2SMPD1
SCHEMBL4415963 0.76 ESR1 (0.75) KDM4EGAACA12CA1CA2
SCHEMBL14491016 0.74 KDM4E (0.41) KDM4EGAADBHRECQLCA12
SCHEMBL11345805 0.74 TSHR (0.50) LMNATSHRMAPK1

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
EP-2447779-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-05-02 EP disclosed