SCHEMBL11051674

SCHEMBL11051674

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=CCS[C@@H]12)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.59
▸ NR1I2 O75469 6/20 0.56
▸ PGR P06401 3/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ MAPT P10636 6/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ FAP Q12884 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PPARG P37231 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 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
SCHEMBL11050575 0.91 NR1I2 (0.63) PTGS1NR1I2PGRPTGS2MAPT
SCHEMBL11050577 0.91 NR1I2 (0.63) PTGS1NR1I2PGRPTGS2MAPT
Ceftizoxime Alapivoxil SCHEMBL29711104 0.89 PTGS1 (0.59) PTGS1NR1I2PGRPTGS2MAPT
Ceftizoxime Alapivoxil SCHEMBL29391598 0.89 PTGS1 (0.59) PTGS1NR1I2PGRPTGS2MAPT
Ceftizoxime Alapivoxil SCHEMBL9863636 0.89 PTGS1 (0.59) PTGS1NR1I2PGRPTGS2MAPT
Ceftizoxime Alapivoxil SCHEMBL9863641 0.89 PTGS1 (0.59) PTGS1NR1I2PGRPTGS2MAPT
SCHEMBL11047007 0.88 NR1I2 (0.72) PTGS1NR1I2PGRPTGS2MAPT
SCHEMBL10419430 0.87 PTGS1 (0.76) PTGS1NR1I2PGRPTGS2MAPT
SCHEMBL11049882 0.87 PTGS1 (0.76) PTGS1NR1I2PGRPTGS2MAPT
SCHEMBL10419431 0.87 PTGS1 (0.76) PTGS1NR1I2PGRPTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436903-A Process for the production of 7 β-substituted-3-unsubstituted-3-cephem-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1984-03-13 — — US disclosed
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