SCHEMBL11472380

SCHEMBL11472380

C=CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.71
▸ PGR P06401 2/20 0.71
▸ PPARG P37231 2/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ DAO P14920 1/20 0.61
▸ SNCA P37840 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TDP1 Q9NUW8 6/20 0.59
▸ LMNA P02545 2/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ APEX1 P27695 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ HSD17B10 Q99714 2/20 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
Hydrochloric Acid SCHEMBL11046567 1.00 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11472379 1.00 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11046579 1.00 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11049878 0.96 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11049874 0.96 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11006780 0.96 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11006787 0.96 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11173033 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11173023 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11009734 0.95 NR1I2 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220761-A 7-[Substituted oximinoacetamido]-3-[hydroxy alkyltetrazolo]cephalosporin derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-09-02 — — US claimed
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