SCHEMBL9745130

SCHEMBL9745130

C=CCOC(=O)C1=C(COC(=O)c2cc(=O)c3cc(F)c(N4CCN(C(=O)OC(C)(C)C)CC4)cc3n2CC)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34
NR1I2 O75469 1/20 0.34
DNMT1 P26358 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ELANE P08246 1/20 0.33
SPOP O43791 1/20 0.33
PLCG1 P19174 1/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL9744086 0.94 CTDSP1 (0.49) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9745476 0.93 L3MBTL1 (0.42) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9743861 0.89 CTDSP1 (0.51) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9746500 0.89 CTDSP1 (0.49) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9744843 0.84 L3MBTL1 (0.48) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9745543 0.84 L3MBTL1 (0.47) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9022337 0.75 L3MBTL1 (0.53) L3MBTL1TDP1MAPTHPGDALDH1A1
SCHEMBL9743438 0.72 L3MBTL1 (0.53) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9744839 0.72 L3MBTL1 (0.52) L3MBTL1CTDSP1TDP1MAPTHPGD
SCHEMBL9744139 0.72 L3MBTL1 (0.53) L3MBTL1CTDSP1TDP1MAPTHPGD

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
US-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 US disclosed