SCHEMBL11038658

SCHEMBL11038658

CC(=O)OCC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.84
▸ CTDSP1 Q9GZU7 2/20 0.82
▸ PLCG1 P19174 1/20 0.66
▸ MAPT P10636 7/20 0.65
▸ NR1I2 O75469 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ DNMT1 P26358 1/20 0.65
▸ SLC22A6 Q4U2R8 1/20 0.65
▸ SLC22A8 Q8TCC7 1/20 0.65
▸ SLC22A11 Q9NSA0 1/20 0.65
▸ L3MBTL1 Q9Y468 5/20 0.64
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ APEX1 P27695 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ GLA P06280 1/20 0.61

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
SCHEMBL11038661 1.00 TDP1 (0.84) TDP1CTDSP1PLCG1MAPTNR1I2
SCHEMBL11582650 0.94 TDP1 (0.86) TDP1CTDSP1PLCG1MAPTNR1I2
SCHEMBL11582655 0.94 TDP1 (0.86) TDP1CTDSP1PLCG1MAPTNR1I2
SCHEMBL11673368 0.93 PLCG1 (0.79) TDP1CTDSP1PLCG1MAPTNR1I2
SCHEMBL11673364 0.93 PLCG1 (0.79) TDP1CTDSP1PLCG1MAPTNR1I2
SCHEMBL17169774 0.92 TDP1 (0.83) TDP1CTDSP1PLCG1MAPTNR1I2
Cefaloram SCHEMBL11057775 0.92 TDP1 (1.00) TDP1CTDSP1MAPTNR1I2HPGD
Cefaloram SCHEMBL10428695 0.92 TDP1 (1.00) TDP1CTDSP1MAPTNR1I2HPGD
Cefaloram SCHEMBL612837 0.92 TDP1 (1.00) TDP1CTDSP1MAPTNR1I2HPGD
Cefaloram SCHEMBL11057780 0.92 TDP1 (1.00) TDP1CTDSP1MAPTNR1I2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034924-B1 PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1984-07-04 — — EP claimed
EP-0034924-A2 Process for preparing 3-iodomethyl cephalosporins ELI LILLY AND COMPANY (US) 1981-09-02 — — EP claimed
US-4266049-A Process for 3-iodomethyl cephalosporins ELI LILLY AND COMPANY (US) 1981-05-05 — — US claimed
EP-0034924-B1 PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1984-07-04 — — EP disclosed
EP-0034924-A2 Process for preparing 3-iodomethyl cephalosporins ELI LILLY AND COMPANY (US) 1981-09-02 — — EP disclosed
US-4266049-A Process for 3-iodomethyl cephalosporins ELI LILLY AND COMPANY (US) 1981-05-05 — — US disclosed
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