SCHEMBL8575249

SCHEMBL8575249

CCOC(=O)C1(OC(C)=O)CCCCC1OC.Cc1cc(C)cc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 4/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31

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
SCHEMBL8575244 0.84 ALDH1A1 (0.36) KDM4ESMN1; SMN2ALDH1A1PDE4APDE4B
SCHEMBL8577182 0.83 GPR35 (0.36) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8578476 0.79 OPRM1 (0.35) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8575948 0.77 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1CYP3A4MEN1
SCHEMBL8576908 0.75 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1PDE4DCYP3A4
SCHEMBL8578670 0.75 KMT2A (0.41) KDM4ESMN1; SMN2ALDH1A1CYP3A4MEN1
SCHEMBL8577175 0.74 GPR35 (0.36) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8578006 0.73 ACACB (0.33) KDM4ESMN1; SMN2MEN1KMT2AHTT
SCHEMBL8575820 0.73 ACACB (0.35) KDM4ESMN1; SMN2ALDH1A1PDE4APDE4B
SCHEMBL8577363 0.72 MEN1 (0.34) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed