SCHEMBL10531302

SCHEMBL10531302

CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(Cl)Cl)CS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALB P02768 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ PGR P06401 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ FAP Q12884 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 5/20 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
SCHEMBL10531311 1.00 NR1I2 (0.47) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL7072611 0.94 NR1I2 (0.50) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL10530847 0.94 NR1I2 (0.50) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL10530868 0.94 NR1I2 (0.47) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL10530861 0.94 NR1I2 (0.47) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL9482880 0.92 TDP1 (0.52) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL9482885 0.92 TDP1 (0.52) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL9483140 0.90 NR1I2 (0.47) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL10529706 0.90 NR1I2 (0.59) NR1I2HTR2CPTGS1ABCB11PDE4D
SCHEMBL10529699 0.90 NR1I2 (0.59) NR1I2HTR2CPTGS1ABCB11PDE4D

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
EP-0109683-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 — — EP disclosed
US-4609730-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-02 — — US disclosed
EP-0109683-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 — — EP disclosed
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