SCHEMBL10867295

SCHEMBL10867295

Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OCC3CC(=O)N3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.54
▸ PGR P06401 3/20 0.54
▸ SLC22A6 Q4U2R8 3/20 0.49
▸ SLC22A8 Q8TCC7 3/20 0.49
▸ SLC22A11 Q9NSA0 3/20 0.49
▸ PPARG P37231 2/20 0.49
▸ MAPT P10636 9/20 0.48
▸ TDP1 Q9NUW8 7/20 0.48
▸ POLB P06746 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ APEX1 P27695 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43

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
SCHEMBL10867297 1.00 NR1I2 (0.54) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10878869 0.93 NR1I2 (0.55) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10878866 0.93 NR1I2 (0.55) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10834197 0.91 NR1I2 (0.56) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10834194 0.91 NR1I2 (0.56) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10632818 0.88 NR1I2 (0.56) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10632571 0.88 NR1I2 (0.54) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10630290 0.87 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10430436 0.86 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10837521 0.83 NR1I2 (0.49) NR1I2PGRSLC22A6SLC22A8SLC22A11

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
EP-0176369-A2 7-(Alpha-(4-oxo-2-azetidinyl(or -azetidinylalkyl)-oxyimino)-alpha-(2-amino-4-thiazolyl)acetamido]-3- substituted-Delta 3-cephem-4-carboxylic acid compounds and salts thereof, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-04-02 — — EP disclosed
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