SCHEMBL11868041

SCHEMBL11868041

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.64
▸ SPOP O43791 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.43
▸ NAPEPLD Q6IQ20 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL11672615 0.89 PLCG1 (0.79) PLCG1TDP1HTTCTDSP1MAPT
SCHEMBL11305923 0.89 PLCG1 (0.66) PLCG1TDP1NAPEPLDHTTCTDSP1
SCHEMBL11101773 0.89 PLCG1 (0.66) PLCG1TDP1NAPEPLDHTTCTDSP1
SCHEMBL11672611 0.89 PLCG1 (0.79) PLCG1TDP1HTTCTDSP1MAPT
SCHEMBL11800567 0.89 PLCG1 (0.60) PLCG1SPOPTDP1NAPEPLDHTT
SCHEMBL11673833 0.88 PLCG1 (0.65) PLCG1SPOPTDP1HTTCTDSP1
SCHEMBL11673831 0.88 PLCG1 (0.65) PLCG1SPOPTDP1HTTCTDSP1
SCHEMBL11686937 0.87 PLCG1 (0.63) PLCG1TDP1HTTCTDSP1MAPT
SCHEMBL11672541 0.87 PLCG1 (0.63) PLCG1TDP1HTTCTDSP1MAPT
SCHEMBL11672539 0.87 PLCG1 (0.63) PLCG1TDP1HTTCTDSP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
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