SCHEMBL11101773

SCHEMBL11101773

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.66
▸ TDP1 Q9NUW8 4/20 0.44
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL11305923 1.00 PLCG1 (0.66) PLCG1TDP1HTTMAPTHPGD
SCHEMBL11672611 0.91 PLCG1 (0.79) PLCG1TDP1HTTMAPTCYP3A4
SCHEMBL11672615 0.91 PLCG1 (0.79) PLCG1TDP1HTTMAPTCYP3A4
SCHEMBL11673831 0.90 PLCG1 (0.65) PLCG1TDP1HTTMAPTHPGD
SCHEMBL11673833 0.90 PLCG1 (0.65) PLCG1TDP1HTTMAPTHPGD
SCHEMBL11727875 0.89 PLCG1 (0.67) PLCG1TDP1MAPTHPGDCYP3A4
SCHEMBL11868041 0.89 PLCG1 (0.64) PLCG1TDP1HTTMAPTHPGD
SCHEMBL11098923 0.89 PLCG1 (0.61) PLCG1TDP1MAPTHPGDCYP3A4
SCHEMBL11686937 0.88 PLCG1 (0.63) PLCG1TDP1HTTMAPTHPGD
SCHEMBL11672539 0.88 PLCG1 (0.63) PLCG1TDP1HTTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — 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-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — 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-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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