SCHEMBL11226408

SCHEMBL11226408

CC(=O)O/C=C1/S[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N2C(C(=O)OCc2ccc([N+](=O)[O-])cc2)=C1C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ELANE P08246 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
SCHEMBL11226411 1.00 PLCG1 (0.55) PLCG1L3MBTL1TDP1CTDSP1ALDH1A1
SCHEMBL11225729 0.92 PLCG1 (0.52) PLCG1L3MBTL1TDP1CTDSP1ALDH1A1
SCHEMBL11225757 0.92 PLCG1 (0.52) PLCG1L3MBTL1TDP1CTDSP1ALDH1A1
SCHEMBL11338430 0.91 PLCG1 (0.55) PLCG1L3MBTL1CTDSP1ALDH1A1LMNA
SCHEMBL11338427 0.91 PLCG1 (0.55) PLCG1L3MBTL1CTDSP1ALDH1A1LMNA
SCHEMBL11223541 0.91 PLCG1 (0.57) PLCG1L3MBTL1CTDSP1ALDH1A1CYP2C19
SCHEMBL11223536 0.91 PLCG1 (0.57) PLCG1L3MBTL1CTDSP1ALDH1A1CYP2C19
SCHEMBL11218239 0.91 PLCG1 (0.57) PLCG1L3MBTL1CTDSP1ALDH1A1LMNA
SCHEMBL11218238 0.91 PLCG1 (0.57) PLCG1L3MBTL1CTDSP1ALDH1A1LMNA
SCHEMBL11228563 0.89 PLCG1 (0.56) PLCG1L3MBTL1CTDSP1ALDH1A1LMNA

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
US-4299954-A MICROBIOCIDES ELI LILLY AND COMPANY (US) 1981-11-10 — — US claimed
US-4334064-A Cephalosporin vinyl halides ELI LILLY AND COMPANY (US) 1982-06-08 — — US disclosed
US-4334063-A Cephalosporin vinyl halides ELI LILLY AND COMPANY (US) 1982-06-08 — — US disclosed
US-4299954-A MICROBIOCIDES ELI LILLY AND COMPANY (US) 1981-11-10 — — US disclosed
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