SCHEMBL11259502

SCHEMBL11259502

CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(NC(=O)OC[C@@H](N)C(=O)O)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.73
▸ MAPT P10636 3/20 0.73
▸ PPARG P37231 2/20 0.73
▸ SLC22A6 Q4U2R8 2/20 0.73
▸ SLC22A8 Q8TCC7 2/20 0.73
▸ SLC22A11 Q9NSA0 2/20 0.73
▸ ALB P02768 1/20 0.73
▸ TDP1 Q9NUW8 6/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ APEX1 P27695 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ ABCC4 O15439 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ HTR2C P28335 1/20 0.64

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
SCHEMBL11259505 1.00 NR1I2 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11263841 0.94 TDP1 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11263854 0.94 TDP1 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11260234 0.90 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11260227 0.90 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11258496 0.89 NR1I2 (0.57) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11258502 0.89 NR1I2 (0.57) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9683726 0.89 NR1I2 (0.81) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9684415 0.87 NR1I2 (0.76) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9682776 0.87 NR1I2 (0.78) NR1I2MAPTPPARGSLC22A6SLC22A8

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-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 — — US claimed
Send feedback