SCHEMBL11039500

SCHEMBL11039500

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)OC(C)(C)C)c3ncsn3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ NR1I2 O75469 6/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ ALB P02768 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ TDP1 Q9NUW8 7/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ CTDSP1 Q9GZU7 2/20 0.52
▸ PGR P06401 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ APEX1 P27695 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL11044067 0.91 NR1I2 (0.60) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10673324 0.88 NR1I2 (0.62) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL11038323 0.88 TDP1 (0.44) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL11038320 0.88 TDP1 (0.44) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10776174 0.88 NR1I2 (0.59) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10643005 0.86 TDP1 (0.43) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10643010 0.86 TDP1 (0.43) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL11040894 0.86 TDP1 (0.58) MAPTNR1I2TDP1L3MBTL1CTDSP1
SCHEMBL11040896 0.86 TDP1 (0.58) MAPTNR1I2TDP1L3MBTL1CTDSP1
SCHEMBL11550663 0.85 TDP1 (0.68) MAPTNR1I2SLC22A6SLC22A8SLC22A11

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-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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