SCHEMBL11042191

SCHEMBL11042191

NC(=O)OCC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)Cc3ccccc3)[C@H]2SC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.77
▸ TDP1 Q9NUW8 8/20 0.61
▸ CTDSP1 Q9GZU7 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ HSD17B10 Q99714 5/20 0.49
▸ NR1I2 O75469 2/20 0.49
▸ PGR P06401 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ PKM P14618 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL11042193 1.00 PLCG1 (0.77) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11673368 0.92 PLCG1 (0.79) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11673364 0.92 PLCG1 (0.79) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11648862 0.91 PLCG1 (0.81) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11648858 0.91 PLCG1 (0.81) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL9623844 0.91 PLCG1 (0.80) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL9623847 0.91 PLCG1 (0.80) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11040053 0.90 PLCG1 (0.79) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11040054 0.90 PLCG1 (0.79) PLCG1TDP1CTDSP1ALDH1A1L3MBTL1
SCHEMBL11672827 0.89 PLCG1 (0.61) PLCG1TDP1CTDSP1ALDH1A1MAPK1

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-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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