SCHEMBL8089314

SCHEMBL8089314

CCOC(=O)CN(CCN(CC(=O)OCC)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
PPARG P37231 1/20 0.53
LTA4H P09960 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.43
PPID Q08752 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GLA P06280 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41

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
SCHEMBL9123816 0.93 SMN1; SMN2 (0.55) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL8624227 0.93 SMN1; SMN2 (0.57) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL9831449 0.92 SMN1; SMN2 (0.61) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL4436691 0.91 SMN1; SMN2 (0.52) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL11234182 0.91 PPARG (0.55) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL6486619 0.90 SMN1; SMN2 (0.54) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL12762278 0.90 SMN1; SMN2 (0.54) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL9188630 0.89 PPARG (0.54) SMN1; SMN2PPARGLTA4HMEN1KMT2A
Hydrochloric Acid SCHEMBL4436687 0.89 SMN1; SMN2 (0.51) SMN1; SMN2PPARGLTA4HMEN1KMT2A
SCHEMBL4517708 0.88 SMN1; SMN2 (0.53) SMN1; SMN2PPARGLTA4HMEN1KMT2A

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-0824576-B1 MULTILAYER SECOND-ORDER NONLINEAR OPTICAL FILMS OF HEAD-TO-HEAD MAINCHAIN CHROMOPHORIC POLYMERS US NAVY (US) 2000-12-13 EP disclosed