SCHEMBL9655895

SCHEMBL9655895

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](NC(=O)Cc3cccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)c3)[C@@H]2SC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.84
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 5/20 0.47
▸ HTT P42858 2/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL10412277 0.91 PLCG1 (1.00) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL10412275 0.91 PLCG1 (1.00) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11773847 0.89 PLCG1 (0.89) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11771771 0.87 PLCG1 (0.86) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11773967 0.87 PLCG1 (0.86) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11654441 0.86 PLCG1 (0.81) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11097617 0.86 PLCG1 (0.81) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11774310 0.86 PLCG1 (0.81) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11672615 0.85 PLCG1 (0.79) PLCG1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11672611 0.85 PLCG1 (0.79) PLCG1L3MBTL1ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268343-B1 ENZYMATIC PROCESS FOR 3-SUBSTITUTED CEPHALOSPORINS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1992-05-27 — — EP disclosed
EP-0268343-A2 Enzymatic process for 3-substituted cephalosporins THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1988-05-25 — — EP disclosed
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