SCHEMBL8545368

SCHEMBL8545368

COc1cc(C(=O)CC(C)(N)CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
TNFRSF1A P19438 1/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
LPAR1 Q92633 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
Hydrochloric Acid SCHEMBL8550390 0.99 L3MBTL1 (0.50) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL8546963 0.79 OPRM1 (0.50) L3MBTL1LMNASMN1; SMN2HTTTDP1
Hydrochloric Acid SCHEMBL8549158 0.78 OPRM1 (0.49) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL8550004 0.78 L3MBTL1 (0.46) L3MBTL1LMNASMN1; SMN2HTTTDP1
Hydrochloric Acid SCHEMBL8543951 0.77 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL709246 0.77 TDP1 (0.60) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL7823257 0.76 ALDH1A1 (0.61) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL969334 0.76 TDP1 (0.59) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL708387 0.74 LMNA (0.58) L3MBTL1LMNASMN1; SMN2HTTTDP1
SCHEMBL8550168 0.74 KMT2A (0.54) L3MBTL1LMNASMN1; SMN2HTTTDP1

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 claimed