SCHEMBL10606760

SCHEMBL10606760

NC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\O)c3cscn3)[C@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.61
▸ NR1I2 O75469 6/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ PGR P06401 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPT P10636 8/20 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
▸ HTR2C P28335 1/20 0.54
▸ CTDSP1 Q9GZU7 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ABCC4 O15439 3/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ PDE4A P27815 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
SCHEMBL10606768 1.00 TDP1 (0.61) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL11246339 0.92 MAPT (0.65) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL10606264 0.91 TDP1 (0.72) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL10606259 0.91 TDP1 (0.72) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL7809090 0.87 NR1I2 (0.74) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL7828952 0.87 NR1I2 (0.74) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL27288111 0.87 NR1I2 (0.74) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL10605710 0.86 TDP1 (0.59) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL10605713 0.86 TDP1 (0.59) TDP1NR1I2HSD17B10ALDH1A1PGR
SCHEMBL11010391 0.84 NR1I2 (0.76) TDP1NR1I2HSD17B10ALDH1A1PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150458-B1 CEPHEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-11-23 — — EP disclosed
US-4705784-A ORAL DRUGS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 — — US disclosed
EP-0150458-A2 Cephem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1985-08-07 — — EP disclosed
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