SCHEMBL11247274

SCHEMBL11247274

CC(C)(C)OC(=O)C1(O/N=C(\C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4ccncc4)CS[C@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.47
▸ PGR P06401 3/20 0.47
▸ PPARG P37231 3/20 0.45
▸ SLC22A6 Q4U2R8 2/20 0.45
▸ SLC22A8 Q8TCC7 2/20 0.45
▸ SLC22A11 Q9NSA0 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DAO P14920 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ ABCC4 O15439 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALB P02768 1/20 0.43
▸ CA5A P35218 1/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10835266 0.90 NR1I2 (0.47) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10951819 0.89 NR1I2 (0.48) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832883 0.88 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10835601 0.88 NR1I2 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9826508 0.88 NR1I2 (0.49) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11248421 0.88 NR1I2 (0.48) NR1I2PGRPPARGSLC22A6SLC22A8
Bromide SCHEMBL10834432 0.86 NR1I2 (0.39) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10909106 0.86 NR1I2 (0.58) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10878394 0.85 NR1I2 (0.48) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10878386 0.85 NR1I2 (0.48) 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-4315005-A Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1982-02-09 — — US disclosed
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