SCHEMBL8372995

SCHEMBL8372995

OCCOc1cccc(C2(c3cccc(OCCO)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.53
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22829512 0.88 PDK2 (0.52) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL1490274 0.86 PDK2 (0.49) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL29349660 0.85 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL16894068 0.85 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL31443094 0.85 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL20411195 0.83 ALDH1A1 (0.55) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL17445878 0.83 ESR1 (0.44) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL194556 0.83 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL29351148 0.83 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2
SCHEMBL30211372 0.83 PDK2 (0.54) PDK2ALDH1A1RECQLESR1ESR2

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-0653451-B1 POLYESTER KANEBO LTD (JP) 1999-02-17 EP claimed