SCHEMBL8550004

SCHEMBL8550004

COc1cc(C(=O)CC(N)(Cc2ccccc2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA2B P18089 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL8543951 0.99 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL8546963 0.84 OPRM1 (0.50) L3MBTL1SMN1; SMN2LMNAHTTTDP1
Hydrochloric Acid SCHEMBL8549158 0.83 OPRM1 (0.49) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL8545368 0.78 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2LMNAHTTTDP1
Hydrochloric Acid SCHEMBL8550390 0.77 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL7823257 0.76 ALDH1A1 (0.61) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL6461487 0.73 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL709246 0.71 TDP1 (0.60) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL969334 0.70 TDP1 (0.59) L3MBTL1SMN1; SMN2LMNAHTTTDP1
SCHEMBL7815654 0.70 ALDH1A1 (0.54) L3MBTL1LMNAALDH1A1KDM4EMAPK1

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