SCHEMBL11222454

SCHEMBL11222454

N=c1[nH]c(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(COCC(O)c4ccccc4)CS[C@@H]23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TDP1 Q9NUW8 5/20 0.52
▸ MAPT P10636 5/20 0.49
▸ NR1I2 O75469 4/20 0.49
▸ CTDSP1 Q9GZU7 3/20 0.49
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A8 Q8TCC7 2/20 0.49
▸ SLC22A11 Q9NSA0 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ PTPN11 Q06124 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PGR P06401 2/20 0.43
▸ PPARG P37231 1/20 0.43

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
SCHEMBL11222449 0.89 L3MBTL1 (0.57) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11416752 0.85 L3MBTL1 (0.53) L3MBTL1TDP1MAPTNR1I2CTDSP1
Hydrochloric Acid SCHEMBL10413102 0.85 PTGS1 (0.47) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11226154 0.83 TDP1 (0.71) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11220098 0.83 PTGS1 (0.62) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11457232 0.82 TDP1 (0.68) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11457233 0.82 TDP1 (0.68) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11222191 0.82 CA5A (0.55) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL11222186 0.82 CA5A (0.55) L3MBTL1TDP1MAPTNR1I2CTDSP1
SCHEMBL10413074 0.82 L3MBTL1 (0.60) L3MBTL1TDP1MAPTNR1I2CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 — — US claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 — — US claimed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 — — US disclosed
US-4308381-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 — — US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 — — US disclosed
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