SCHEMBL11015752

SCHEMBL11015752

O=C(COc1ccccc1)N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CS[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
PTGS1 P23219 1/20 0.47
CA5A P35218 1/20 0.47
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 2/20 0.44
SLC15A2 Q16348 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 1/20 0.44
NR1I2 O75469 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 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
SCHEMBL9140732 1.00 CTDSP1 (0.54) CTDSP1L3MBTL1PTGS1CA5ATDP1
SCHEMBL9140737 1.00 CTDSP1 (0.54) CTDSP1L3MBTL1PTGS1CA5ATDP1
SCHEMBL9477097 0.94 CTDSP1 (0.55) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL9477095 0.94 CTDSP1 (0.55) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL9143991 0.93 L3MBTL1 (0.56) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL9143994 0.93 L3MBTL1 (0.56) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL11585139 0.92 CTDSP1 (0.53) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL11674205 0.92 CTDSP1 (0.53) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL11504797 0.92 CTDSP1 (0.53) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1
SCHEMBL11674200 0.92 CTDSP1 (0.53) CTDSP1L3MBTL1PTGS1TDP1ALDH1A1

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-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
EP-0109816-A1 N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4436596-A N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed