SCHEMBL8533433

SCHEMBL8533433

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.49
CTDSP1 Q9GZU7 2/20 0.47
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
SPOP O43791 1/20 0.44
MAPK1 P28482 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1010087 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL27938962 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10820995 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10840113 1.00 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL10821202 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL11098482 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Methylene Chloride SCHEMBL11134298 0.98 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Acetic Acid SCHEMBL10821201 0.98 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Propionic Acid SCHEMBL11138117 0.96 PLCG1 (0.66) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11731807 0.92 PLCG1 (0.62) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824801-A REACTING CORRESPONDING EXOMETHYLENE COMPOUND WITH OZONE, DECOMPOSITION WITHOUT REDUCING AGENT LUPIN LABORATORIES LTD. (IN) 1998-10-20 US disclosed
US-5750683-A CHEMICAL INTERMEDIATES FOR BIOSYNTHESIS OF CAPHALOISPORIN ANTIBIOTICS LUPIN LABORATORIES, LTD. (IN) 1998-05-12 US disclosed
US-4604386-A CONTROL OF GRAMPOSITIVE BACTERIA ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0168222-A2 3-(Alkynylalkyloxy) Cephalosporins ELI LILLY AND COMPANY (US) 1986-01-15 EP disclosed
US-4518531-A Allylic chlorination process and compounds prepared thereby ELI LILLY AND COMPANY (US) 1985-05-21 US disclosed
US-4473567-A Substituted-imidazolidinyl-3-chloro-3-cephem-4-carboxylic acid SHIONOGI & CO., LTD. (JP) 1984-09-25 US disclosed
US-4440683-A Cyclization to form cephem ring and azetidinone intermediates therefor SHIONOGI & CO., LTD. (JP) 1984-04-03 US disclosed
EP-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 EP disclosed
US-4430268-A Allylic chlorination process ELI LILLY AND COMPANY (US) 1984-02-07 US disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 EP disclosed
US-4160085-A Cyclization to form cephem ring and intermediates therefor SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4133808-A 4-(Formylthio)azetidinones and ozonization process therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4048157-A 4(Formylthio)-azetidin-2-ones and ozonization process therefor ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed