SCHEMBL11048029

SCHEMBL11048029

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3ncsn3)C(=O)N2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ PPARG P37231 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32
▸ MAPT P10636 7/20 0.32
▸ POLB P06746 7/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 8/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ APEX1 P27695 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ APAF1 O14727 2/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11040791 0.93 NR1I2 (0.40) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10937425 0.89 NR1I2 (0.43) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11046838 0.88 NR1I2 (0.30) NR1I2PGR
SCHEMBL9658255 0.84 NR1I2 (0.36) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11008934 0.84 NR1I2 (0.44) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10643012 0.83 TDP1 (0.32) TDP1APEX1APAF1LMNATSHR
SCHEMBL11038328 0.83 TDP1 (0.32) NR1I2TDP1APEX1APAF1LMNA
SCHEMBL10854213 0.82 NR1I2 (0.35) NR1I2PGRTDP1HSD17B10APEX1
SCHEMBL10939452 0.82 NR1I2 (0.46) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10847932 0.82 KCNH2 (0.36) NR1I2PGRMAPTPOLBALDH1A1

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-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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