SCHEMBL11578085

SCHEMBL11578085

COc1ccc(COC(=O)C2=C(O)CS[C@H]3C(NC(=O)Cc4ccccc4)C(=O)N23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.66
▸ TDP1 Q9NUW8 6/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPK1 P28482 1/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ MAPT P10636 4/20 0.53
▸ POLB P06746 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ DUSP3 P51452 1/20 0.53
▸ PTPN5 P54829 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ HPGD P15428 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC22A11 Q9NSA0 1/20 0.47
▸ CYP3A4 P08684 2/20 0.44

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
SCHEMBL8954207 1.00 PLCG1 (0.66) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11578082 1.00 PLCG1 (0.66) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11056035 0.93 PLCG1 (0.69) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11056030 0.93 PLCG1 (0.69) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL9788376 0.91 PLCG1 (0.79) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL9788374 0.91 PLCG1 (0.79) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11582598 0.91 PLCG1 (0.79) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11582596 0.91 PLCG1 (0.79) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11094741 0.91 PLCG1 (0.55) PLCG1TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL11094744 0.91 PLCG1 (0.55) PLCG1TDP1L3MBTL1ALDH1A1MAPK1

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-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 — — US disclosed
US-4048162-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
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