SCHEMBL9692663

SCHEMBL9692663

CC(=O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.70
▸ MAPT P10636 3/20 0.70
▸ PPARG P37231 3/20 0.70
▸ SLC22A6 Q4U2R8 2/20 0.70
▸ SLC22A8 Q8TCC7 2/20 0.70
▸ SLC22A11 Q9NSA0 2/20 0.70
▸ ALB P02768 1/20 0.70
▸ HTR2C P28335 1/20 0.66
▸ TDP1 Q9NUW8 6/20 0.61
▸ APEX1 P27695 3/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL11060892 1.00 NR1I2 (0.70) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11060900 1.00 NR1I2 (0.70) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9692674 1.00 NR1I2 (0.70) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9690021 0.93 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9690011 0.93 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9691388 0.91 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9691301 0.91 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9691312 0.91 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9689997 0.90 NR1I2 (0.69) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9690010 0.90 NR1I2 (0.69) 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 7 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
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 — — US 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
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