SCHEMBL11098923

SCHEMBL11098923

O=CNC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.61
▸ NAPEPLD Q6IQ20 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL11330160 0.90 PLCG1 (0.61) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11330163 0.90 PLCG1 (0.61) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11305923 0.89 PLCG1 (0.66) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11101773 0.89 PLCG1 (0.66) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11674261 0.88 PLCG1 (0.59) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11674265 0.88 PLCG1 (0.59) PLCG1NAPEPLDKMT2AMEN1ALDH1A1
SCHEMBL11729128 0.88 PLCG1 (0.54) PLCG1ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL11729123 0.88 PLCG1 (0.54) PLCG1ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL11104711 0.86 PLCG1 (0.67) PLCG1NAPEPLDALDH1A1L3MBTL1RAB9A
SCHEMBL11727875 0.86 PLCG1 (0.67) PLCG1NAPEPLDKMT2AMEN1ALDH1A1

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 4 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-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — 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
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
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