SCHEMBL9360352

SCHEMBL9360352

COCCOCOc1ccc(CON=C(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CCl)CS[C@@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PPARG P37231 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SLC22A6 Q4U2R8 2/20 0.41
▸ SLC22A8 Q8TCC7 2/20 0.41
▸ SLC22A11 Q9NSA0 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PGR P06401 4/20 0.37
▸ TDP1 Q9NUW8 6/20 0.37
▸ APEX1 P27695 3/20 0.37
▸ APAF1 O14727 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PLCG1 P19174 1/20 0.37

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
SCHEMBL9360334 1.00 NR1I2 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9735814 0.94 PTGS1 (0.41) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9735817 0.94 PTGS1 (0.41) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9361189 0.91 PTGS1 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9361192 0.91 PTGS1 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9365473 0.89 PTGS1 (0.42) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9365466 0.89 PTGS1 (0.42) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10778463 0.87 NR1I2 (0.48) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10778447 0.87 NR1I2 (0.48) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL9360368 0.87 NR1I2 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6

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-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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