SCHEMBL8548671

SCHEMBL8548671

COc1cc(C(=O)C[C](CCc2ccccc2)C[C@H](C)C(N)=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
G6PD P11413 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL708387 0.79 LMNA (0.58) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL8550585 0.76 TNFRSF1A (0.56) LMNASMN1; SMN2TDP1KMT2AALDH1A1
SCHEMBL709246 0.74 TDP1 (0.60) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL8816104 0.74 KMT2A (0.56) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL8550168 0.74 KMT2A (0.54) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL969334 0.73 TDP1 (0.59) LMNASMN1; SMN2HTTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL8546948 0.73 KMT2A (0.53) LMNASMN1; SMN2HTTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL8812982 0.73 KMT2A (0.55) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL8549831 0.72 LMNA (0.53) LMNASMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL13257747 0.71 KMT2A (0.79) LMNASMN1; SMN2HTTTDP1L3MBTL1

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 3 patents. 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 claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed