SCHEMBL11143849

SCHEMBL11143849

CN1CCN(C(=O)OCC2=C(C(=O)O)N3C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c4ccc(O)cc4)[C@@H]3[S+]([O-])C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ SLC22A6 Q4U2R8 2/20 0.35
▸ SLC22A8 Q8TCC7 2/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SLC22A11 Q9NSA0 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL11143369 0.95 BACE1 (0.39) BACE1SCN9APTGS1CTSSCTSK
SCHEMBL11143825 0.92 SCN9A (0.37) BACE1SCN9APTGS1CTSSCTSK
SCHEMBL11464559 0.85 PTGS1 (0.50) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL11670093 0.84 PTGS1 (0.48) MAPTSLC22A6SLC22A8SLC22A11SCN9A
SCHEMBL11670596 0.84 PTGS1 (0.48) MAPTSLC22A6SLC22A8SLC22A11SCN9A
SCHEMBL11149699 0.78 PTGS1 (0.46) MAPTSLC22A6SLC22A8PDE3ASLC22A11
SCHEMBL10706148 0.78 CTDSP1 (0.43) SCN9APTGS1CTSSCTSKTDP1
SCHEMBL11144577 0.77 TDP1 (0.50) MAPTSLC22A6SLC22A8SLC22A11PTGS1
SCHEMBL11143390 0.77 NR1I2 (0.31) MAPTSLC22A6SLC22A8SLC22A11ESR1
SCHEMBL11144584 0.77 TDP1 (0.50) MAPTSLC22A6SLC22A8SLC22A11PTGS1

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-4399278-A 7-AMINO-2 OR 3-CEPHEM-4-CARBOXY COMPOUNDS HAVING ANTIBACTERIAL PROPERTIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 — — US disclosed
US-4327093-A TREATING INFECTIONS DISEASES, ANTIBACTERIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-27 — — US disclosed
EP-0010313-A1 3,7-Disubstituted-2- or -3-cephem-4-carboxylic acid compounds, pharmaceutical compositions containing them and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 — — EP disclosed
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