SCHEMBL11466817

SCHEMBL11466817

CON=C(C(=O)NC1C(=O)N2CC(CSc3nnc(O)c(=O)n3C)(C(=O)OCc3ccc([N+](=O)[O-])cc3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.36
▸ PGR P06401 3/20 0.36
▸ MAPT P10636 5/20 0.33
▸ PPARG P37231 2/20 0.33
▸ SLC22A6 Q4U2R8 2/20 0.33
▸ SLC22A8 Q8TCC7 2/20 0.33
▸ SLC22A11 Q9NSA0 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TDP1 Q9NUW8 5/20 0.32
▸ APEX1 P27695 3/20 0.32
▸ ABCC4 O15439 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11184717 0.89 NR1I2 (0.40) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11566423 0.88 NR1I2 (0.33) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11312162 0.88 NR1I2 (0.37) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11423218 0.87 NR1I2 (0.38) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL9601254 0.83 NR1I2 (0.34) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11466816 0.83 NR1I2 (0.49) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11466815 0.83 NR1I2 (0.49) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL9600902 0.82 NR1I2 (0.33) NR1I2PGR
SCHEMBL11194412 0.81 NR1I2 (0.41) NR1I2PGRMAPTPPARGSLC22A6
SCHEMBL11523021 0.81 NR1I2 (0.46) NR1I2PGRMAPTPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002605-B1 CEPHALOSPORIN COMPOUNDS AND FORMULATIONS CONTAINING THEM FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS AND THE PREPARATION OF THE CEPHALOSPORIN COMPOUNDS ELI LILLY AND COMPANY (US) 1981-12-30 — — EP disclosed
EP-0002605-A1 Cephalosporin compounds and formulations containing them for use in the treatment of bacterial infections and the preparation of the cephalosporin compounds ELI LILLY AND COMPANY (US) 1979-06-27 — — EP disclosed
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