SCHEMBL7769796

SCHEMBL7769796

C=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 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.65
SPOP O43791 11/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL9476398 1.00 PLCG1 (0.65) PLCG1SPOPPOLBMAPTPKM
SCHEMBL9476389 1.00 PLCG1 (0.65) PLCG1SPOPPOLBMAPTPKM
SCHEMBL7769604 0.91 PLCG1 (0.65) PLCG1SPOPPOLBMAPTPKM
SCHEMBL11281709 0.89 PLCG1 (0.62) PLCG1SPOPPOLBMAPTPKM
SCHEMBL10993228 0.89 PLCG1 (0.62) PLCG1SPOPPOLBMAPTPKM
SCHEMBL8533433 0.89 PLCG1 (0.68) PLCG1SPOPPOLBMAPTPKM
SCHEMBL10820995 0.89 PLCG1 (0.68) PLCG1SPOPPOLBMAPTPKM
SCHEMBL27938962 0.89 PLCG1 (0.68) PLCG1SPOPPOLBMAPTPKM
SCHEMBL1010087 0.89 PLCG1 (0.68) PLCG1SPOPPOLBMAPTPKM
SCHEMBL10840113 0.89 PLCG1 (0.68) PLCG1SPOPPOLBMAPTPKM

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