SCHEMBL11223627

SCHEMBL11223627

O=C(O)CCC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@@H]2SC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.81
▸ MAPT P10636 5/20 0.81
▸ NR1I2 O75469 5/20 0.81
▸ HPGD P15428 3/20 0.81
▸ SLC22A6 Q4U2R8 2/20 0.81
▸ SLC22A8 Q8TCC7 2/20 0.81
▸ SLC22A11 Q9NSA0 2/20 0.81
▸ CTDSP1 Q9GZU7 2/20 0.81
▸ DNMT1 P26358 1/20 0.81
▸ HSD17B10 Q99714 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ GLA P06280 1/20 0.68
▸ APEX1 P27695 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ PTPN7 P35236 1/20 0.68

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
SCHEMBL11223624 1.00 TDP1 (0.81) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11222226 0.95 TDP1 (0.76) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11523565 0.93 TDP1 (0.81) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11523562 0.93 TDP1 (0.81) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL9436226 0.91 TDP1 (0.81) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11523392 0.91 TDP1 (0.84) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11523395 0.91 TDP1 (0.84) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11221201 0.90 TDP1 (0.85) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11221206 0.90 TDP1 (0.85) TDP1MAPTNR1I2HPGDSLC22A6
SCHEMBL11517829 0.90 TDP1 (0.73) TDP1MAPTNR1I2HPGDSLC22A6

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-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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