SCHEMBL8720397

SCHEMBL8720397

CCOC(=O)[C@@H]1CCCN(CCOC2c3ccccc3CCc3ccc(Cl)cc32)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7466818 0.82 ALDH1A1 (0.58) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL8173592 0.81 ALDH1A1 (0.62) KDM4EALDH1A1TDP1L3MBTL1ATM
SCHEMBL8169494 0.79 LMNA (0.59) KDM4EALDH1A1TDP1L3MBTL1ATM
SCHEMBL8716102 0.79 SLC6A1 (0.65)
SCHEMBL8859046 0.79 SLC6A1 (0.57) KDM4EALDH1A1TDP1POLBTSHR
SCHEMBL7474726 0.78 ALDH1A1 (0.57) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL8196738 0.78 KDM4E (0.55) KDM4EALDH1A1TDP1POLB
SCHEMBL8859050 0.78 ALDH1A1 (0.53) KDM4EALDH1A1TDP1L3MBTL1ATM
SCHEMBL9085531 0.78 ALDH1A1 (0.53) KDM4EALDH1A1TDP1L3MBTL1ATM
SCHEMBL8194970 0.77 ALDH1A1 (0.59) KDM4EALDH1A1TDP1POLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825984-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-03-04 EP disclosed
WO-1996031471-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed