SCHEMBL11014163

SCHEMBL11014163

CCOC(=O)OCCOC(=O)C1=C(COC(N)=O)CS[C@H]2C(NC(=O)/C(=N\OC)c3cscn3)C(=O)N12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ NR1I2 O75469 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ PGR P06401 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPT P10636 6/20 0.56
▸ POLB P06746 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ABCC4 O15439 2/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ ALB P02768 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.55
▸ SLC22A8 Q8TCC7 1/20 0.55
▸ SLC22A11 Q9NSA0 1/20 0.55
▸ APEX1 P27695 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53

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
SCHEMBL10605563 0.90 ABCC4 (0.64) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10605558 0.90 ABCC4 (0.64) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606259 0.88 TDP1 (0.72) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606264 0.88 TDP1 (0.72) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10609258 0.87 TDP1 (0.57) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606056 0.87 TDP1 (0.72) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606061 0.87 TDP1 (0.72) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606800 0.87 PTGS1 (0.64) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606802 0.87 PTGS1 (0.64) TDP1HSD17B10NR1I2ALDH1A1PGR
SCHEMBL10606811 0.85 ABCC4 (0.75) TDP1HSD17B10NR1I2ALDH1A1PGR

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-0150458-A2 Cephem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1985-08-07 — — EP claimed
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