SCHEMBL9020841

SCHEMBL9020841

CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)CS[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
PIK3CG P48736 6/20 0.44
PIK3CD O00329 4/20 0.44
PIK3R1 P27986 4/20 0.44
PIK3CA P42336 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.42
TOP2B Q02880 2/20 0.41
CYP1A2 P05177 1/20 0.41
TOP2A P11388 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL9020833 1.00 KDM4E (0.46) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL9020836 1.00 KDM4E (0.46) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL9327584 0.91 PIK3CG (0.42) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL9416058 0.91 CTDSP1 (0.41) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9416077 0.83 CTDSP1 (0.41) KDM4EALDH1A1LMNAHPGDCTDSP1
SCHEMBL9021173 0.82 L3MBTL1 (0.52) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL9329792 0.82 L3MBTL1 (0.52) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL8880532 0.80 MAPT (0.56) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL1387672 0.80 MAPT (0.56) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL9021420 0.79 KDM4E (0.52) KDM4EALDH1A1PIK3CGLMNAHPGD

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-0335297-B1 Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1996-03-13 EP claimed
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US disclosed