SCHEMBL11675985

SCHEMBL11675985

COCC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)c3ccccc3C(=O)O)[C@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.63
▸ TDP1 Q9NUW8 6/20 0.49
▸ CTDSP1 Q9GZU7 3/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ MAPT P10636 5/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ SPOP O43791 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ NR1I2 O75469 3/20 0.43
▸ DNMT1 P26358 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.42

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
SCHEMBL11675991 1.00 PLCG1 (0.63) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678087 0.93 PLCG1 (0.62) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678085 0.93 PLCG1 (0.62) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678392 0.91 PLCG1 (0.61) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678389 0.91 PLCG1 (0.61) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678050 0.90 L3MBTL1 (0.54) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11678047 0.90 L3MBTL1 (0.54) PLCG1TDP1CTDSP1L3MBTL1MAPT
SCHEMBL11677903 0.90 PLCG1 (0.78) PLCG1TDP1L3MBTL1MAPTKMT2A
SCHEMBL11677901 0.90 PLCG1 (0.78) PLCG1TDP1L3MBTL1MAPTKMT2A
SCHEMBL11648858 0.88 PLCG1 (0.81) PLCG1TDP1CTDSP1L3MBTL1MAPT

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-4005074-A Process for cleaving an imido side chain from penicillins and cephalosporins ELI LILLY AND COMPANY (US) 1977-01-25 — — US disclosed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 — — US disclosed
US-3994888-A Cephalosporin cleavage process ELI LILLY AND COMPANY (US) 1976-11-30 — — US disclosed
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