SCHEMBL10831949

SCHEMBL10831949

C=CCO/N=C(/Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC3C=CCC3)c3csc(N)n3)[C@H]2SC1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.60
▸ PGR P06401 2/20 0.60
▸ PPARG P37231 2/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ DAO P14920 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ CYP2J2 P51589 1/20 0.52
▸ ABCC4 O15439 2/20 0.52
▸ TDP1 Q9NUW8 7/20 0.49
▸ LMNA P02545 3/20 0.49
▸ APAF1 O14727 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PLCG1 P19174 1/20 0.49
▸ ABCC2 Q92887 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ PSMD14 O00487 1/20 0.49

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
SCHEMBL10831956 1.00 NR1I2 (0.60) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832059 0.93 NR1I2 (0.69) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832069 0.93 NR1I2 (0.69) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831418 0.93 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831422 0.93 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831610 0.92 NR1I2 (0.50) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831612 0.92 NR1I2 (0.50) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10993662 0.91 NR1I2 (0.65) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10993640 0.91 NR1I2 (0.65) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10981441 0.91 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582908-A CHEMICAL INTERMEDIATES OF CEPHALOSPORIN DERIVATIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-15 — — US disclosed
US-4493834-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4420477-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-13 — — US disclosed
EP-0029998-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 — — EP disclosed
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