SCHEMBL8544960

SCHEMBL8544960

COc1ccc(C(=O)CCl)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.58
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.45
TUBB1 Q9H4B7 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MCL1 Q07820 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL8544356 0.84 HPGD (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27860093 0.84 PDE4D (0.56) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL6717832 0.84 PDE4D (0.56) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL4255074 0.83 PDE4D (0.53) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL11678563 0.82 PDE4D (0.55) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL4608592 0.82 PDE4D (0.55) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL4312690 0.82 HPGDS (0.61) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL222062 0.79 MAPT (0.55) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL11680967 0.79 PDE4D (0.52) PDE4DMAPTTDP1MEN1KMT2A
SCHEMBL4118586 0.79 HTT (0.53) PDE4DMAPTTDP1MEN1KMT2A

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed