SCHEMBL9813268

SCHEMBL9813268

CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OCc3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ MAPT P10636 4/20 0.54
▸ NR1I2 O75469 4/20 0.54
▸ PPARG P37231 2/20 0.54
▸ SLC22A6 Q4U2R8 2/20 0.54
▸ SLC22A8 Q8TCC7 2/20 0.54
▸ SLC22A11 Q9NSA0 2/20 0.54
▸ ALB P02768 1/20 0.54
▸ TDP1 Q9NUW8 6/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL10741834 0.93 CTDSP1 (0.56) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL11137242 0.93 NR1I2 (0.64) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL10762469 0.91 MAPT (0.53) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL11094997 0.90 MAPT (0.56) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL11096971 0.90 MAPT (0.56) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL10836442 0.88 CTDSP1 (0.53) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL9684587 0.88 MAPT (0.63) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL11041146 0.88 NR1I2 (0.67) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL11041144 0.88 NR1I2 (0.67) CTDSP1MAPTNR1I2PPARGSLC22A6
SCHEMBL10633560 0.87 CTDSP1 (0.52) CTDSP1MAPTNR1I2PPARGSLC22A6

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-0153709-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1991-08-14 — — EP disclosed
US-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 — — US disclosed
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