SCHEMBL11218239

SCHEMBL11218239

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@@H]2SC1=CBr

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL11218238 1.00 PLCG1 (0.57) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11228563 0.93 PLCG1 (0.56) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11223536 0.93 PLCG1 (0.57) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11223541 0.93 PLCG1 (0.57) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11226408 0.91 PLCG1 (0.55) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11338427 0.91 PLCG1 (0.55) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11338430 0.91 PLCG1 (0.55) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11226411 0.91 PLCG1 (0.55) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11260113 0.88 PLCG1 (0.63) PLCG1CTDSP1L3MBTL1CYP2C19ELANE
SCHEMBL11260124 0.88 PLCG1 (0.63) PLCG1CTDSP1L3MBTL1CYP2C19ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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