SCHEMBL7769604

SCHEMBL7769604

CC=CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@@H]2SC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.47
SPOP O43791 3/20 0.46
NAPEPLD Q6IQ20 1/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 1/20 0.43
PTGS2 P35354 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL10993228 0.92 PLCG1 (0.62) PLCG1L3MBTL1SPOPNAPEPLDCTDSP1
SCHEMBL11281709 0.92 PLCG1 (0.62) PLCG1L3MBTL1SPOPNAPEPLDCTDSP1
SCHEMBL9476398 0.91 PLCG1 (0.65) PLCG1L3MBTL1SPOPNAPEPLDCTDSP1
SCHEMBL9476389 0.91 PLCG1 (0.65) PLCG1L3MBTL1SPOPNAPEPLDCTDSP1
SCHEMBL7769796 0.91 PLCG1 (0.65) PLCG1L3MBTL1SPOPNAPEPLDCTDSP1
SCHEMBL11278886 0.89 PLCG1 (0.82) PLCG1L3MBTL1SPOPCTDSP1TDP1
SCHEMBL9186607 0.89 PLCG1 (0.82) PLCG1L3MBTL1SPOPCTDSP1TDP1
SCHEMBL10778893 0.89 PLCG1 (0.82) PLCG1L3MBTL1SPOPCTDSP1TDP1
SCHEMBL11541672 0.89 PLCG1 (0.82) PLCG1L3MBTL1SPOPCTDSP1TDP1
SCHEMBL9180696 0.89 PLCG1 (0.82) PLCG1L3MBTL1SPOPCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334590-B1 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-0677523-A1 3-(substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed
US-5128336-A Antibiotics ELI LILLY AND COMPANY (US) 1992-07-07 US disclosed
EP-0334590-A2 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1989-09-27 EP disclosed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 US disclosed