SCHEMBL9691323

SCHEMBL9691323

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)CC(C)=O)CS[C@H]12)c1csc(NC(=O)CCl)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 7/20 0.68
▸ MAPT P10636 3/20 0.68
▸ PPARG P37231 2/20 0.68
▸ SLC22A6 Q4U2R8 2/20 0.68
▸ SLC22A8 Q8TCC7 2/20 0.68
▸ SLC22A11 Q9NSA0 2/20 0.68
▸ ALB P02768 1/20 0.68
▸ HTR2C P28335 1/20 0.64
▸ TDP1 Q9NUW8 5/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ APEX1 P27695 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ ABCC4 O15439 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL9691328 1.00 NR1I2 (0.68) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10776113 1.00 NR1I2 (0.68) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10425319 0.94 NR1I2 (0.66) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9679491 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL5439983 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL5439979 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL8631702 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11055144 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10847228 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL8628827 0.94 NR1I2 (0.77) NR1I2MAPTPPARGSLC22A6SLC22A8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 — — EP disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 — — EP disclosed
EP-0164113-B1 3-PYRAZOLO(1,5-A)PYRIDINIUM CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-05-16 — — EP disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 — — US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 — — US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 — — EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 — — EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 — — EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 — — EP disclosed
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