SCHEMBL11223536

SCHEMBL11223536

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2S/C1=C\Cl

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.57
▸ ELANE P08246 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL11223541 1.00 PLCG1 (0.57) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11218239 0.93 PLCG1 (0.57) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11218238 0.93 PLCG1 (0.57) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11228563 0.91 PLCG1 (0.56) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11338427 0.91 PLCG1 (0.55) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11226408 0.91 PLCG1 (0.55) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11338430 0.91 PLCG1 (0.55) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11226411 0.91 PLCG1 (0.55) PLCG1ELANECTDSP1L3MBTL1ALDH1A1
SCHEMBL11222938 0.90 PLCG1 (0.53) PLCG1CTDSP1L3MBTL1ALDH1A1CYP2C9
SCHEMBL11222935 0.90 PLCG1 (0.53) PLCG1CTDSP1L3MBTL1ALDH1A1CYP2C9

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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