SCHEMBL8559580

SCHEMBL8559580

CCOC(=O)N1CCC(NC(=O)C(Br)CCBr)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
CASP6 P55212 1/20 0.51
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL8561526 0.85 HPGD (0.39) HPGDL3MBTL1THRBATMCASP6
SCHEMBL789907 0.85 EPHX1 (0.55) HPGDL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL788997 0.82 EPHX2 (0.36) HPGDTSHR
SCHEMBL23042307 0.80 L3MBTL1 (0.59) HPGDL3MBTL1THRBATMCASP6
SCHEMBL15114600 0.80 FPR2 (0.41) ALDH1A1
SCHEMBL8223985 0.80 HPGD (0.62) HPGDL3MBTL1THRBATMCASP6
SCHEMBL8806885 0.78 KMT2A (0.43) L3MBTL1GAASMN1; SMN2KMT2AALDH1A1
SCHEMBL2597299 0.78 EPHX1 (0.53) HPGDL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL5900372 0.77 KMT2A (0.63) HPGDL3MBTL1THRBATMGAA
SCHEMBL789128 0.77 EPHX2 (0.35) KMT2AALDH1A1

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
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed