SCHEMBL11248421

SCHEMBL11248421

CC(C)(C)OC(=O)C1(O/N=C(\C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4cc[n+](CC(N)=O)cc4)CS[C@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.48
▸ PGR P06401 3/20 0.48
▸ ESR1 P03372 2/20 0.48
▸ PPARG P37231 2/20 0.48
▸ TDP1 Q9NUW8 7/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ MAPT P10636 4/20 0.43
▸ APEX1 P27695 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ PKM P14618 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
SCHEMBL11320269 0.89 NR1I2 (0.56) NR1I2PGRESR1PPARGTDP1
SCHEMBL11247274 0.88 NR1I2 (0.47) NR1I2PGRESR1PPARGTDP1
Bromide SCHEMBL10834432 0.86 NR1I2 (0.39) NR1I2PGRESR1PPARGTDP1
SCHEMBL11066493 0.85 NR1I2 (0.50) NR1I2PGRESR1PPARGTDP1
SCHEMBL11239356 0.84 TDP1 (0.57) NR1I2PGRESR1PPARGTDP1
SCHEMBL10835266 0.83 NR1I2 (0.47) NR1I2PGRESR1PPARGTDP1
SCHEMBL10832883 0.83 NR1I2 (0.56) NR1I2PGRPPARGTDP1HSD17B10
SCHEMBL10695812 0.81 TDP1 (0.50) NR1I2PGRESR1PPARGTDP1
SCHEMBL10835601 0.81 NR1I2 (0.57) NR1I2PGRESR1PPARGTDP1
SCHEMBL9826508 0.81 NR1I2 (0.49) NR1I2PGRESR1PPARGTDP1

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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