SCHEMBL9329792

SCHEMBL9329792

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)O)=C(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)CS[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
PIK3CG P48736 6/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
PIK3CD O00329 4/20 0.48
PIK3R1 P27986 4/20 0.48
PIK3CA P42336 4/20 0.48
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
TOP2B Q02880 2/20 0.45
CYP1A2 P05177 1/20 0.44
TOP2A P11388 1/20 0.44
CYP2C9 P11712 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
SCHEMBL9021173 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CGKDM4EALDH1A1PIK3CD
SCHEMBL9021139 0.93 PIK3CG (0.47) L3MBTL1PIK3CGKDM4EALDH1A1PIK3CD
SCHEMBL8192526 0.92 L3MBTL1 (0.46) L3MBTL1PIK3CGKDM4EALDH1A1PIK3CD
SCHEMBL9022337 0.91 L3MBTL1 (0.53) L3MBTL1PIK3CGKDM4EALDH1A1PIK3CD
SCHEMBL8880532 0.89 MAPT (0.56) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL1387672 0.89 MAPT (0.56) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL9022340 0.83 KDM4E (0.50) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL9743994 0.82 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL9020841 0.82 KDM4E (0.46) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1
SCHEMBL9020836 0.82 KDM4E (0.46) PIK3CGKDM4EALDH1A1PIK3CDPIK3R1

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
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US claimed
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US disclosed