SCHEMBL8664694

SCHEMBL8664694

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CTDSP1 Q9GZU7 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 3/20 0.44
▸ SPOP O43791 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL8664695 1.00 PLCG1 (0.67) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11682347 0.91 PLCG1 (0.66) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL1010087 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL27938962 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10820995 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL8533433 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL10840113 0.91 PLCG1 (0.68) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
Methylene Chloride SCHEMBL11134298 0.91 PLCG1 (0.65) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL11541672 0.91 PLCG1 (0.82) PLCG1L3MBTL1CTDSP1ALDH1A1TDP1
SCHEMBL7771463 0.91 PLCG1 (0.67) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US claimed
EP-0745603-B1 Process for p-nitrobenzyl ester cleavage in cephalosporin RANBAXY LAB LTD (IN) 1998-12-02 — — EP disclosed
EP-0745603-A1 Process for p-nitrobenzyl ester cleavage in cephalosporin Ranbaxy Laboratories Limited (IN) 1996-12-04 — — EP disclosed
US-5536830-A Process for P-nitrobenzyl ester cleavage in cephalosporin RANBAXY LABORATORIES, LTD. (IN) 1996-07-16 — — US disclosed
EP-0096496-B1 PREPARATION OF PENICILLIN AND CEPHALOSPORIN COMPOUNDS AND NOVEL INTERMEDIATES USEFUL THEREIN Lilly Industries Limited (GB) 1986-07-23 — — EP disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
EP-0096496-A1 Preparation of penicillin and cephalosporin compounds and novel intermediates useful therein Lilly Industries Limited (GB) 1983-12-21 — — EP disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 — — US disclosed
US-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 — — 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-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — 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
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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