SCHEMBL11036578

SCHEMBL11036578

NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC3CC3)c3nsc(N)n3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ NR1I2 O75469 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ PGR P06401 1/20 0.56
▸ MAPT P10636 5/20 0.54
▸ ALB P02768 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54
▸ SLC22A11 Q9NSA0 1/20 0.54
▸ HTR2C P28335 1/20 0.52
▸ POLB P06746 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ APEX1 P27695 3/20 0.46
▸ LMNA P02545 2/20 0.46

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
SCHEMBL11365299 0.90 TDP1 (0.68) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10838359 0.90 TDP1 (0.68) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10838364 0.90 TDP1 (0.68) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10856153 0.89 TDP1 (0.55) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10856147 0.89 TDP1 (0.55) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL11017181 0.87 TDP1 (0.61) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL11365391 0.86 MAPT (0.65) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10595646 0.86 NR1I2 (0.73) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10850980 0.86 TDP1 (0.54) TDP1HSD17B10NR1I2ALDH1A1TSHR
SCHEMBL10850989 0.86 TDP1 (0.54) TDP1HSD17B10NR1I2ALDH1A1TSHR

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
EP-0150609-A2 Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1985-08-07 — — EP disclosed
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